2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-(dimethylamino)phenyl)-

Modify Date: 2025-10-17 14:16:16

2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-(dimethylamino)phenyl)- structure	Common Name	2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-(dimethylamino)phenyl)-
	CAS Number	36998-79-5	Molecular Weight	291.34700
	Density	1.247g/cm3	Boiling Point	542.9ºC at 760 mmHg
	Molecular Formula	C₁₈H₁₇N₃O	Melting Point	N/A
	MSDS	N/A	Flash Point	282.1ºC

Name	1-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one

Density	1.247g/cm3
Boiling Point	542.9ºC at 760 mmHg
Molecular Formula	C₁₈H₁₇N₃O
Molecular Weight	291.34700
Flash Point	282.1ºC
Exact Mass	291.13700
PSA	48.99000
LogP	3.52500
Index of Refraction	1.715
InChIKey	CZFRSDJMVHGIIZ-UHFFFAOYSA-N
SMILES	CN(C)c1ccc(C=CC(=O)c2nc3ccccc3[nH]2)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UD5572510

CHEMICAL NAME :: 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-(dimethylamino)phenyl)-

CAS REGISTRY NUMBER :: 36998-79-5

LAST UPDATED :: 199703

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C18-H17-N3-O

MOLECULAR WEIGHT :: 291.38

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3755314

p-Dimethylamino...

CAS#:100-10-7

2-Acetylbenzimi...

CAS#:939-70-8

~90%

2-Propen-1-one,...

CAS#:36998-79-5

Literature: Dubey; Kumar, C. Ravi; Babu, Balaji Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003 , vol. 42, # 12 p. 3128 - 3130

N/A

CAS#:16414-04-3

2-Propen-1-one,...

CAS#:36998-79-5

Literature: Dubey; Kumar, C. Ravi; Babu, Balaji Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003 , vol. 42, # 12 p. 3128 - 3130

Precursor 2
CAS#:100-10-7 p-Dimethylamino... CAS#:939-70-8 2-Acetylbenzimi...
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