Home >> Chemicals Listing >> hot product list by B  

Benzonitrile,3-[(methylamino)methyl]- (90389-96-1)

Identification
Name:Benzonitrile,3-[(methylamino)methyl]-
Synonyms:3-[(Methylamino)methyl]benzonitrile;N-Methyl-N-(3-cyanobenzyl)amine
CAS:90389-96-1
Molecular Formula: C9H10N2
Molecular Weight: 146.19
InChI: InChI=1/C9H10N2/c1-11-7-9-4-2-3-8(5-9)6-10/h2-5,11H,7H2,1H3
Molecular Structure: (C9H10N2) 3-[(Methylamino)methyl]benzonitrile;N-Methyl-N-(3-cyanobenzyl)amine
Properties
Density:1.04 g/cm3
Refractive index:1.541
Specification:

The CAS register number of 3-[(Methylamino)methyl]benzonitrile is 90389-96-1. It also can be called as 3-Cyano-N-methylbenzylamine and the IUPAC name about this chemical is 3-(methylaminomethyl)benzonitrile. The molecular formula about this chemical is C9H10N2 and molecular weight is 146.19. It belongs to the Polyamines.

Physical properties about 3-[(Methylamino)methyl]benzonitrile are: (1)ACD/LogP: 0.96; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 2.39; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 27.03Å2; (10)Index of Refraction: 1.541; (11)Molar Refractivity: 44.22 cm3; (12)Molar Volume: 140.5 cm3; (13)Polarizability: 17.53x10-24cm3; (14)Surface Tension: 42.8 dyne/cm; (15)Enthalpy of Vaporization: 48.46 kJ/mol; (16)Boiling Point: 247.4 °C at 760 mmHg; (17)Vapour Pressure: 0.0256 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cccc(c1)CNC
(2)InChI: InChI=1/C9H10N2/c1-11-7-9-4-2-3-8(5-9)6-10/h2-5,11H,7H2,1H3
(3)InChIKey: KBRCDVSFCMVQSN-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H10N2/c1-11-7-9-4-2-3-8(5-9)6-10/h2-5,11H,7H2,1H3
(5)Std. InChIKey: KBRCDVSFCMVQSN-UHFFFAOYSA-N

Safety Data
 

Other Product