Benzoic acid,2-[(2-aminoethyl)amino]-3-nitro- supplier

Name
2[(2-AMINOETHYL)AMINO]-3-NITROBENZOIC ACID
EINECS
CAS No. 374063-88-4
Density 1.467 g/cm³
Solubility
Melting Point
Formula C₉H₁₁N₃O₄
Boiling Point 457.6 °C at 760 mmHg
Molecular Weight 225.2
Flash Point 230.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-[(2-aminoethyl)amino]-3-nitrobenzoic acid;benzoic acid, 2-[(2-aminoethyl)amino]-3-nitro-;
PSA 121.17000
LogP 1.96010

Benzoic acid,2-[(2-aminoethyl)amino]-3-nitro- Specification

The Benzoic acid,2-[(2-aminoethyl)amino]-3-nitro-, with the CAS registry number 374063-88-4, has the systematic name of 2-[(2-aminoethyl)amino]-3-nitrobenzoic acid. It is a kind of irritant chemical, and the molecular formula of the chemical is C₉H₁₁N₃O₄.

The characteristics of Benzoic acid,2-[(2-aminoethyl)amino]-3-nitro- are as followings: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.13; (4)ACD/LogD (pH 7.4): -0.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.47; (8)ACD/KOC (pH 7.4): 1.44; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 78.6 Å²; (13)Index of Refraction: 1.672; (14)Molar Refractivity: 57.5 cm³; (15)Molar Volume: 153.4 cm³; (16)Polarizability: 22.79×10^-24cm³; (17)Surface Tension: 75.6 dyne/cm; (18)Density: 1.467 g/cm³; (19)Flash Point: 230.5 °C; (20)Enthalpy of Vaporization: 75.63 kJ/mol; (21)Boiling Point: 457.6 °C at 760 mmHg; (22)Vapour Pressure: 3.63E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(C(=O)O)c1NCCN
(2)InChI: InChI=1/C9H11N3O4/c10-4-5-11-8-6(9(13)14)2-1-3-7(8)12(15)16/h1-3,11H,4-5,10H2,(H,13,14)
(3)InChIKey: BWRXJVGKSNXVJG-UHFFFAOYAW

Product Name

2[(2-AMINOETHYL)AMINO]-3-NITROBENZOIC ACID

Benzoic acid,2-[(2-aminoethyl)amino]-3-nitro- Specification

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