Propanenitrile,3,3'-[(phenylmethyl)imino]bis- supplier

Name
3-[BENZYL-(2-CYANO-ETHYL)-AMINO]-PROPIONITRILE
EINECS
CAS No. 782-87-6
Article Data23
CAS DataBase
Density 1.072 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₅N₃
Boiling Point 429.3 °C at 760 mmHg
Molecular Weight 213.282
Flash Point 195.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propionitrile,3,3'-(benzylimino)di- (6CI,7CI,8CI);
PSA 50.82000
LogP 2.31596

Propanenitrile,3,3'-[(phenylmethyl)imino]bis- Specification

The CAS registry number of Propanenitrile,3,3'-[(phenylmethyl)imino]bis- is 782-87-6. This chemical is also named as Propionitrile,3,3'-(benzylimino)di- (6CI,7CI,8CI). In addition, its molecular formula is C₁₃H₁₅N₃ and molecular weight is 213.28. Its systematic name is called 3,3'-(benzylimino)dipropanenitrile.

Physical properties about Propanenitrile,3,3'-[(phenylmethyl)imino]bis- are: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.19; (6)ACD/BCF (pH 7.4): 5.24; (7)ACD/KOC (pH 5.5): 112.69; (8)ACD/KOC (pH 7.4): 113.94; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.541; (13)Molar Refractivity: 62.51 cm³; (14)Molar Volume: 198.8 cm³; (15)Surface Tension: 48.6 dyne/cm; (16)Density: 1.072 g/cm³; (17)Flash Point: 195.3 °C; (18)Enthalpy of Vaporization: 68.45 kJ/mol; (19)Boiling Point: 429.3 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCN(CCC#N)Cc1ccccc1
(2)InChI: InChI=1/C13H15N3/c14-8-4-10-16(11-5-9-15)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,10-12H2
(3)InChIKey: WWSYLVQUYMYQBU-UHFFFAOYAC

Product Name

3-[BENZYL-(2-CYANO-ETHYL)-AMINO]-PROPIONITRILE

Propanenitrile,3,3'-[(phenylmethyl)imino]bis- Specification

Related Products

Hot Products