Benzenemethanamine, a-methyl-3-nitro- supplier

Name
1-(3-NITRO-PHENYL)-ETHYLAMINE
EINECS
CAS No. 90271-37-7
Article Data18
CAS DataBase
Density 1.199g/cm³
Solubility
Melting Point
Formula C₈H₁₀N₂O₂
Boiling Point 264.8 °C at 760 mmHg
Molecular Weight 166.18
Flash Point 113.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzylamine,a-methyl-m-nitro- (6CI,7CI);1-(3-Nitrophenyl)ethylamine;
PSA 71.84000
LogP 2.83800

Benzenemethanamine, a-methyl-3-nitro- Specification

The Benzenemethanamine, a-methyl-3-nitro-, with CAS registry number 90271-37-7, has the systematic name of 1-(3-nitrophenyl)ethanamine. Besides this, it is also called Benzylamine, α-methyl-m-nitro-. And the chemical formula of this chemical is C₈H₁₀N₂O₂.

Physical properties of Benzenemethanamine, a-methyl-3-nitro-: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.84; (4)ACD/LogD (pH 7.4): -0.64; (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): 1.62; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.06 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 45.88 cm³; (15)Molar Volume: 138.5 cm³; (16)Polarizability: 18.19×10^-24cm³; (17)Surface Tension: 49.3 dyne/cm; (18)Enthalpy of Vaporization: 50.27 kJ/mol; (19)Vapour Pressure: 0.00952 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(c1)C(N)C
(2)InChI: InChI=1/C8H10N2O2/c1-6(9)7-3-2-4-8(5-7)10(11)12/h2-6H,9H2,1H3
(3)InChIKey: AVIBPONLEKDCPQ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H10N2O2/c1-6(9)7-3-2-4-8(5-7)10(11)12/h2-6H,9H2,1H3
(5)Std. InChIKey: AVIBPONLEKDCPQ-UHFFFAOYSA-N

Product Name

1-(3-NITRO-PHENYL)-ETHYLAMINE

Benzenemethanamine, a-methyl-3-nitro- Specification

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