3-Pyridinemethanamine, a-methyl- (56129-55-6)

The 1-(3-Pyridyl)ethylamine, with CAS registry number of 56129-55-6, has the systematic name of 3-Pyridinemethylamine, alpha-methyl-. And its IUPAC name is 1-pyridin-3-ylethanamine. Besides this, it is also named 1-(3-Pyridyl)ethylamine, 96%.

Physical properties about this chemical are: (1)ACD/LogP: -0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.02; (4)ACD/LogD (pH 7.4): -1.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 16.13 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 37.43 cm³; (15)Molar Volume: 119.9 cm³; (16)Polarizability: 14.83×10^-24cm³; (17)Surface Tension: 42.2 dyne/cm; (18)Enthalpy of Vaporization: 45.75 kJ/mol; (19)Vapour Pressure: 0.11 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: n1cccc(c1)C(N)C
(2)InChI: InChI=1/C7H10N2/c1-6(8)7-3-2-4-9-5-7/h2-6H,8H2,1H3
(3)InChIKey: IQVQNBXPYJGNEA-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H10N2/c1-6(8)7-3-2-4-9-5-7/h2-6H,8H2,1H3
(5)Std. InChIKey: IQVQNBXPYJGNEA-UHFFFAOYSA-N

The toxicity data is as follows: