Benzenemethanamine, 4-(2-pyridinyl)- supplier

Name
OTAVA-BB 1364598
EINECS
CAS No. 294647-97-5
Article Data3
CAS DataBase
Density 1.097 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₂N₂
Boiling Point 346.9 °C at 760 mmHg
Molecular Weight 184.241
Flash Point 184.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(2-Pyridinyl)-benzenemethanamine;OTAVA-BB 1364598;(4-(pyridin-2-yl)phenyl)methanamine;
PSA 38.91000
LogP 2.90760

Benzenemethanamine, 4-(2-pyridinyl)- Specification

The CAS register number of Benzenemethanamine, 4-(2-pyridinyl)- is 294647-97-5. It also can be called as 4-(2-Pyridinyl)-benzenemethanamine and the systematic name about this chemical is 1-(4-pyridin-3-ylphenyl)methanamine. The molecular formula about this chemical is C₁₂H₁₂N₂ and the molecular weight is 184.241.

Physical properties about Benzenemethanamine, 4-(2-pyridinyl)- are: (1)ACD/LogP: 1.53; (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): 4.72; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 16.13 Å²; (10)Index of Refraction: 1.599; (11)Molar Refractivity: 57.38 cm³; (12)Molar Volume: 167.9 cm³; (13)Polarizability: 22.75x10^-24cm³; (14)Surface Tension: 47.3 dyne/cm; (15)Density: 1.097 g/cm³; (16)Flash Point: 184.3 °C; (17)Enthalpy of Vaporization: 59.11 kJ/mol; (18)Boiling Point: 346.9 °C at 760 mmHg; (19)Vapour Pressure: 5.58E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2cccc(c1ccc(cc1)CN)c2
(2)InChI: InChI=1/C12H12N2/c13-8-10-3-5-11(6-4-10)12-2-1-7-14-9-12/h1-7,9H,8,13H2
(3)InChIKey: FUHDBJVMRRGFTR-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C12H12N2/c13-8-10-3-5-11(6-4-10)12-2-1-7-14-9-12/h1-7,9H,8,13H2
(5)Std. InChIKey: FUHDBJVMRRGFTR-UHFFFAOYSA-N

Product Name

OTAVA-BB 1364598

Benzenemethanamine, 4-(2-pyridinyl)- Specification

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