Carbamic acid, [(1R)-1-cyanoethyl]-, 1,1-dimethylethyl ester (9CI)
![Carbamic acid, [(1R)-1-cyanoethyl]-, 1,1-dimethylethyl ester (9CI) Structure](https://image.chemsrc.com/caspic/193/100927-09-1.png)
Carbamic acid, [(1R)-1-cyanoethyl]-, 1,1-dimethylethyl ester (9CI) structure
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Common Name | Carbamic acid, [(1R)-1-cyanoethyl]-, 1,1-dimethylethyl ester (9CI) | ||
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| CAS Number | 100927-09-1 | Molecular Weight | 170.20900 | |
| Density | 1.02 g/cm3at 25°C (lit.) | Boiling Point | 227 °C at 760 mmHg (lit.) | |
| Molecular Formula | C8H14N2O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 121 °C - closed cup (lit.) | |
Summary: tert-butyl N-[(1R)-1-cyanoethyl]carbamate, also known as Carbamic acid, [(1R)-1-cyanoethyl]-, 1,1-dimethylethyl ester (9CI), CAS号100927-09-1, molecular formula C8H14N2O2, molecular weight 170.20900, 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 | tert-butyl N-[(1R)-1-cyanoethyl]carbamate |
|---|---|
| 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.
| Density | 1.02 g/cm3at 25°C (lit.) |
|---|---|
| Boiling Point | 227 °C at 760 mmHg (lit.) |
| Molecular Formula | C8H14N2O2 |
| Molecular Weight | 170.20900 |
| Flash Point | 121 °C - closed cup (lit.) |
| Exact Mass | 170.10600 |
| PSA | 62.12000 |
| LogP | 1.81408 |
| InChIKey | RPKPFOKNXKRFTD-ZCFIWIBFSA-N |
| SMILES | CC(C#N)NC(=O)OC(C)(C)C |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~87%
Carbamic acid, ... CAS#:100927-09-1 |
| Literature: Martinez, Veronica; Davyt, Danilo Tetrahedron Asymmetry, 2013 , vol. 24, # 24 p. 1572 - 1575 |
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~%
Carbamic acid, ... CAS#:100927-09-1
Learn More
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| Literature: Herrera, Raquel P.; Sgarzani, Valentina; Bernardi, Luca; Fini, Francesco; Pettersen, Daniel; Ricci, Alfredo Journal of Organic Chemistry, 2006 , vol. 71, # 26 p. 9869 - 9872 |
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~%
Carbamic acid, ... CAS#:100927-09-1 |
| Literature: Martinez, Veronica; Davyt, Danilo Tetrahedron Asymmetry, 2013 , vol. 24, # 24 p. 1572 - 1575 |
|
~%
Carbamic acid, ... CAS#:100927-09-1 |
| Literature: Jakopin, Ziga; Roskar, Robert; Dolenc, Marija Sollner Tetrahedron Letters, 2007 , vol. 48, # 8 p. 1465 - 1468 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| carbamic acid,(1-cyanoethyl)-,1,1-dimethylethyl ester |
| InChI=1/C8H14N2O2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,1-4H3,(H,10,11 |
| 2-(boc-amino)-2-methylacetonitrile |
| (R)-tert-butyl 1-cyano-ethylcarbamate |
| tert-butyl (1-cyanoethyl)carbamate |
| (R)-(cyano-methyl-methyl)-carbamic acid tert-butyl ester |
| B-1727 |
| tert-butyl (R)-1-cyanoethylcarbamate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of tert-butyl N-[(1R)-1-cyanoethyl]carbamate? |
| A: InChIKey of tert-butyl N-[(1R)-1-cyanoethyl]carbamate is RPKPFOKNXKRFTD-ZCFIWIBFSA-N. |
| Q: What is the molecular weight of tert-butyl N-[(1R)-1-cyanoethyl]carbamate? |
| A: Molecular weight of tert-butyl N-[(1R)-1-cyanoethyl]carbamate is 170.20900. |
| Q: What are the upstream materials of tert-butyl N-[(1R)-1-cyanoethyl]carbamate? |
| A: Related upstream materials(CAS) of tert-butyl N-[(1R)-1-cyanoethyl]carbamate: 78981-25-6;75-86-5;3744-87-4;24424-99-5. |
| Q: What English synonyms does tert-butyl N-[(1R)-1-cyanoethyl]carbamate have? |
| A: English synonyms of tert-butyl N-[(1R)-1-cyanoethyl]carbamate: carbamic acid,(1-cyanoethyl)-,1,1-dimethylethyl ester, InChI=1/C8H14N2O2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,1-4H3,(H,10,11, 2-(boc-amino)-2-methylacetonitrile, (R)-tert-butyl 1-cyano-ethylcarbamate, tert-butyl (1-cyanoethyl)carbamate, (R)-(cyano-methyl-methyl)-carbamic acid tert-butyl ester, B-1727, tert-butyl (R)-1-cyanoethylcarbamate. |
| Q: What is the LogP of tert-butyl N-[(1R)-1-cyanoethyl]carbamate? |
| A: LogP of tert-butyl N-[(1R)-1-cyanoethyl]carbamate is 1.81408. |
| Q: What is the molecular formula of tert-butyl N-[(1R)-1-cyanoethyl]carbamate? |
| A: Molecular formula of tert-butyl N-[(1R)-1-cyanoethyl]carbamate is C8H14N2O2. |
| Q: What is the CAS number of tert-butyl N-[(1R)-1-cyanoethyl]carbamate? |
| A: CAS number of tert-butyl N-[(1R)-1-cyanoethyl]carbamate is 100927-09-1. |
| Q: What is the polar surface area (PSA) of tert-butyl N-[(1R)-1-cyanoethyl]carbamate? |
| A: Polar surface area (PSA) of tert-butyl N-[(1R)-1-cyanoethyl]carbamate is 62.12000. |
| Q: What is the boiling point of tert-butyl N-[(1R)-1-cyanoethyl]carbamate? |
| A: Boiling point of tert-butyl N-[(1R)-1-cyanoethyl]carbamate is 227 °C at 760 mmHg (lit.). |
| Q: What is the SMILES notation of tert-butyl N-[(1R)-1-cyanoethyl]carbamate? |
| A: SMILES notation of tert-butyl N-[(1R)-1-cyanoethyl]carbamate is CC(C#N)NC(=O)OC(C)(C)C. |
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. |