CAS No.83304-13-6,3-NITROPHENYLETHYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	83304-13-6
Name:	3-NITROPHENYLETHYLAMINE
Article Data:	17

Formula:	C₈H₁₀N₂O₂
Molecular Weight:	166.18
Synonyms:	3-Nitrophenethylamine;2-(3-nitrophenyl)ethanamine;benzeneethanamine, 3-nitro-;
EINECS:	200-258-5
Density:	1.206 g/cm³
Melting Point:	211-215 °C
Boiling Point:	304.024 °C at 760 mmHg
Flash Point:	137.669 °C
Hazard Symbols:	Xi
Risk Codes:	22
PSA:	71.84000
LogP:	2.31950

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Specification

The Benzeneethanamine,3-nitro-, with the CAS registry number 83304-13-6, has the systematic name of 2-(3-nitrophenyl)ethanamine. It belongs to the product category of Miscellaneous. And the molecular formula of the chemical is C₈H₁₀N₂O₂. What's more, it is harmful if swallowed.

The characteristics of Benzeneethanamine,3-nitro- are as followings: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 71.84 Å²; (11)Index of Refraction: 1.581; (12)Molar Refractivity: 45.883 cm³; (13)Molar Volume: 137.77 cm³; (14)Polarizability: 18.189×10^-24cm³; (15)Surface Tension: 51.122 dyne/cm; (16)Density: 1.206 g/cm³; (17)Flash Point: 137.669 °C; (18)Enthalpy of Vaporization: 54.436 kJ/mol; (19)Boiling Point: 304.024 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: NCCc1cccc(c1)N(=O)=O
(2)InChI: InChI=1/C8H10N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4-5,9H2
(3)InChIKey: WEPKDBHGQDETGY-UHFFFAOYAV