alpha-(3-Dimethylaminopropyl)diphenylacetonitrile

Modify Date: 2025-08-25 15:36:07

alpha-(3-Dimethylaminopropyl)diphenylacetonitrile Structure
alpha-(3-Dimethylaminopropyl)diphenylacetonitrile structure
Common Name alpha-(3-Dimethylaminopropyl)diphenylacetonitrile
CAS Number 6306-95-2 Molecular Weight 278.39100
Density 1.033g/cm3 Boiling Point 433.9ºC at 760 mmHg
Molecular Formula C19H22N2 Melting Point N/A
MSDS N/A Flash Point 183.8ºC

 Names

Name 5-(dimethylamino)-2,2-diphenylpentanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.033g/cm3
Boiling Point 433.9ºC at 760 mmHg
Molecular Formula C19H22N2
Molecular Weight 278.39100
Flash Point 183.8ºC
Exact Mass 278.17800
PSA 27.03000
LogP 3.83808
Index of Refraction 1.555
InChIKey CUSRNMDZVRKOIM-UHFFFAOYSA-N
SMILES CN(C)CCCC(C#N)(c1ccccc1)c1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YV8395000
CHEMICAL NAME :
Valeronitrile, 5-(dimethylamino)-2,2-diphenyl-
CAS REGISTRY NUMBER :
6306-95-2
BEILSTEIN REFERENCE NO. :
2813947
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H22-N2
MOLECULAR WEIGHT :
278.43
WISWESSER LINE NOTATION :
NCXR&R&3N1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
145 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 9,786,1966

 Synthetic Route

~%

alpha-(3-Dimethylaminopropyl)diphenylacetonitrile Structure

alpha-(3-Dimeth...

CAS#:6306-95-2

Literature: Easton et al. Journal of the American Chemical Society, 1948 , vol. 70, p. 76

~%

alpha-(3-Dimethylaminopropyl)diphenylacetonitrile Structure

alpha-(3-Dimeth...

CAS#:6306-95-2

Literature: Blicke,F.F. et al. Journal of Organic Chemistry, 1961 , vol. 26, p. 1826 - 1831

 Precursor & DownStream

Precursor  2

DownStream  0

 Bioassay

View more

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
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
Total 2, Current Page 1 of 1
1

 Synonyms

4-Dimethylmino-1,1-diphenyl-butylcyanid
2-oxo-3,3-diphenylcyclopentanecarbonitrile
2.2-Diphenyl-5-dimethylaminovaleronitril
2,2-Diphenyl-5-cyano-cyclopentanon
5-dimethylamino-2,2-diphenyl-valeronitrile
The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.