3-[Phenyl(phenylmethyl)amino]-propanenitrile supplier

Name
3-[Phenyl(phenylmethyl)amino]-propanenitrile
EINECS
CAS No. 26322-20-3
Article Data3
CAS DataBase
Density 1.101 g/cm³
Solubility
Melting Point 102-103 °C
Formula C₁₆H₁₆N₂
Boiling Point 419.5 °C at 760 mmHg
Molecular Weight 236.316
Flash Point 185.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-[Benzyl(phenyl)amino]propionitrile;
PSA 27.03000
LogP 3.60688

3-[Phenyl(phenylmethyl)amino]-propanenitrile Specification

The 3-[Phenyl(phenylmethyl)amino]-propanenitrile, with the CAS registry number 26322-20-3, is also known as 3-[Benzyl(phenyl)amino]propionitrile. This chemical's molecular formula is C₁₆H₁₆N₂ and molecular weight is 236.13. What's more, its systematic name is 3-[Benzyl(phenyl)amino]propanenitrile.

Physical properties about 3-[Phenyl(phenylmethyl)amino]-propanenitrile are: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.54; (4)ACD/LogD (pH 7.4): 3.55; (5)ACD/BCF (pH 5.5): 285.85; (6)ACD/BCF (pH 7.4): 291.77; (7)ACD/KOC (pH 5.5): 1982.17; (8)ACD/KOC (pH 7.4): 2023.27; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 27.03 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 74.23 cm³; (15)Molar Volume: 214.5 cm³; (16)Polarizability: 29.42×10^-24 cm³; (17)Surface Tension: 49.6 dyne/cm; (18)Density: 1.101 g/cm³; (19)Flash Point: 185.4 °C; (20)Enthalpy of Vaporization: 67.33 kJ/mol; (21)Boiling Point: 419.5 °C at 760 mmHg; (22)Vapour Pressure: 3.01E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCCN(Cc1ccccc1)c2ccccc2
(2) InChI: InChI=1/C16H16N2/c17-12-7-13-18(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-6,8-11H,7,13-14H2
(3) InChIKey: ZTTPWPKJVSSSMW-UHFFFAOYAE

Product Name

3-[Phenyl(phenylmethyl)amino]-propanenitrile

3-[Phenyl(phenylmethyl)amino]-propanenitrile Specification

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