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6332-77-0

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Basic Information
CAS No.: 6332-77-0
Name: N-(2-AMINOETHYL)-N-(4-NITROPHENYL)AMINE
Article Data: 27
Molecular Structure:
Molecular Structure of 6332-77-0 (N-(2-AMINOETHYL)-N-(4-NITROPHENYL)AMINE)
Formula: C8H11N3O2
Molecular Weight: 181.194
Synonyms: 1,2-Ethanediamine,N-(4-nitrophenyl)- (9CI);Ethylenediamine, N-(p-nitrophenyl)- (8CI);N-(4-Nitrophenyl)-1,2-diaminoethane;N-(4-Nitrophenyl)ethane-1,2-diamine;N-(4-Nitrophenyl)ethylenediamine;N-(p-Nitrophenyl)ethylenediamine;NSC 38711;
Density: 1.285 g/cm3
Melting Point: 152 °C
Boiling Point: 371.8 °C at 760 mmHg
Flash Point: 178.6 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 83.87000
LogP: 2.26190
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Specification

This chemical is called 1,2-Ethanediamine,N1-(4-nitrophenyl)-, and its IUPAC name is N'-(4-nitrophenyl)ethane-1,2-diamine. With the molecular formula of C8H11N3O2, its molecular weight is 181.19. The CAS registry number of this chemical is 6332-77-0.

Other characteristics of the 1,2-Ethanediamine,N1-(4-nitrophenyl)- can be summarised as followings: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 52.3 Å2; (7)Index of Refraction: 1.636; (8)Molar Refractivity: 50.57 cm3; (9)Molar Volume: 140.9 cm3; (10)Polarizability: 20.04×10-24cm3; (11)Surface Tension: 58.9 dyne/cm; (12)Density: 1.285 g/cm3; (13)Flash Point: 178.6 °C; (14)Enthalpy of Vaporization: 61.88 kJ/mol; (15)Boiling Point: 371.8 °C at 760 mmHg; (16)Vapour Pressure: 1.01E-05 mmHg at 25°C. 

You can still convert the following datas into molecular structure: 
1.SMILES: [O-][N+](=O)c1ccc(NCCN)cc1
2.InChI: InChI=1/C8H11N3O2/c9-5-6-10-7-1-3-8(4-2-7)11(12)13/h1-4,10H,5-6,9H2
3.InChIKey: CGTJUSQJKFEMEI-UHFFFAOYAP