1-Propanone,3-[methyl(phenylmethyl)amino]-1-phenyl-, hydrochloride (1:1)
![1-Propanone,3-[methyl(phenylmethyl)amino]-1-phenyl-, hydrochloride (1:1) Structure](https://image.chemsrc.com/caspic/165/5409-62-1.png)
1-Propanone,3-[methyl(phenylmethyl)amino]-1-phenyl-, hydrochloride (1:1) structure
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Common Name | 1-Propanone,3-[methyl(phenylmethyl)amino]-1-phenyl-, hydrochloride (1:1) | ||
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| CAS Number | 5409-62-1 | Molecular Weight | 289.80000 | |
| Density | N/A | Boiling Point | 374.2ºC at 760 mmHg | |
| Molecular Formula | C17H20ClNO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 134.1ºC | |
Summary: 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride (1:1) (5409-62-1, C17H20ClNO, molecular weight 289.80000) For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Boiling Point | 374.2ºC at 760 mmHg |
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| Molecular Formula | C17H20ClNO |
| Molecular Weight | 289.80000 |
| Flash Point | 134.1ºC |
| Exact Mass | 289.12300 |
| PSA | 20.31000 |
| LogP | 4.19340 |
| InChIKey | UQMCPHGYLMSEPN-UHFFFAOYSA-N |
| SMILES | CN(CCC(=O)c1ccccc1)Cc1ccccc1.Cl |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2922399090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~91%
1-Propanone,3-[... CAS#:5409-62-1 |
| Literature: Sharma; Bhandari, Kalpana; Shankar, Girija; Singh; Srivastava, Pratima; Pandey Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2004 , vol. 43, # 1 p. 207 - 211 |
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~79%
1-Propanone,3-[... CAS#:5409-62-1 |
| Literature: Boehringer Ingelheim Pharma GmbH and Co. KG Patent: US2006/9533 A1, 2006 ; Location in patent: Page/Page column 5 ; |
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~%
1-Propanone,3-[... CAS#:5409-62-1 |
| Literature: Sharma; Bhandari, Kalpana; Shankar, Girija; Singh; Srivastava, Pratima; Pandey Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2004 , vol. 43, # 1 p. 207 - 211 |
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~%
1-Propanone,3-[... CAS#:5409-62-1 |
| Literature: Sharma; Bhandari, Kalpana; Shankar, Girija; Singh; Srivastava, Pratima; Pandey Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2004 , vol. 43, # 1 p. 207 - 211 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
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| DownStream 2 | |
CAS#:42142-52-9
CAS#:114247-09-5This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2922399090 |
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| Summary | 2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-(Benzyl-methyl-amino)-1-phenyl-propan-1-on,Hydrochlorid |
| 1R &3-(N-methyl-N-benzyl)aminopropiophenone hydrochloride |
| USAF EL-85 |
| 3-benzylmethylamino-1-phenyl-1-propanone hydrochloride |
| 3-(benzyl-methyl-amino)-1-phenyl-propan-1-one hydrochloride |
| N-methyl-N-benzyl-2-benzoylethamine hydrochloride |
| Propiophenone,3-((benzyl)methylamino)-,hydrochloride |
| 3-(N-benzyl-N-methylamino)propiophenone hydrochloride |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride? |
| A: InChIKey of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride is UQMCPHGYLMSEPN-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride? |
| A: Molecular weight of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride is 289.80000. |
| Q: What English synonyms does 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride have? |
| A: English synonyms of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride: 3-(Benzyl-methyl-amino)-1-phenyl-propan-1-on,Hydrochlorid, 1R &3-(N-methyl-N-benzyl)aminopropiophenone hydrochloride, USAF EL-85, 3-benzylmethylamino-1-phenyl-1-propanone hydrochloride, 3-(benzyl-methyl-amino)-1-phenyl-propan-1-one hydrochloride, N-methyl-N-benzyl-2-benzoylethamine hydrochloride, Propiophenone,3-((benzyl)methylamino)-,hydrochloride, 3-(N-benzyl-N-methylamino)propiophenone hydrochloride. |
| Q: What is the molecular formula of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride? |
| A: Molecular formula of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride is C17H20ClNO. |
| Q: What is the SMILES notation of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride? |
| A: SMILES notation of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride is CN(CCC(=O)c1ccccc1)Cc1ccccc1.Cl. |
| Q: What is the LogP of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride? |
| A: LogP of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride is 4.19340. |
| Q: What are the downstream products of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride? |
| A: Related downstream products(CAS) of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride: 42142-52-9;114247-09-5. |
| Q: What are the upstream materials of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride? |
| A: Related upstream materials(CAS) of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride: 50-00-0;98-86-2;103-67-3;13426-94-3;100-52-7;622-29-7. |
| Q: What is the English name of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride? |
| A: The English name of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride is 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride. |
| Q: What is the boiling point of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride? |
| A: Boiling point of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one,hydrochloride is 374.2ºC at 760 mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |