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55899-42-8

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Basic Information
CAS No.: 55899-42-8
Name: 1,2-Benzenediamine,N-propyl-(9CI)
Article Data: 16
Molecular Structure:
Molecular Structure of 55899-42-8 (1,2-Benzenediamine,N-propyl-(9CI))
Formula: C9H14N2
Molecular Weight: 150.224
Synonyms: 1,2-Benzenediamine,N-propyl- (9CI);N-Propyl-o-phenylenediamine;N-Propylbenzene-1,2-diamine;2-N-Propylbenzene-1,2-diamine;
Density: 1.041 g/cm3
Boiling Point: 278.4 °C at 760 mmHg
Flash Point: 141.5 °C
PSA: 38.05000
LogP: 2.74490
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Specification

The N-(2-Aminophenyl)-N-propylamine, with the CAS registry number 55899-42-8, is also known as N-Propylbenzene-1,2-diamine. It belongs to the product category of Amineprimary. This chemical's molecular formula is C9H14N2 and molecular weight is 150.22. What's more, its IUPAC name is 2-N-propylbenzene-1,2-diamine. 

Physical properties of N-(2-Aminophenyl)-N-propylamine are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 6.48 Å2; (7)Index of Refraction: 1.6; (8)Molar Refractivity: 49.36 cm3; (9)Molar Volume: 144.1 cm3; (10)Polarizability: 19.56×10-24cm3; (11)Surface Tension: 44.1 dyne/cm; (12)Density: 1.041 g/cm3; (13)Flash Point: 141.5 °C; (14)Enthalpy of Vaporization: 51.7 kJ/mol; (15)Boiling Point: 278.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00428 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCNC1=CC=CC=C1N
(2)InChI: InChI=1S/C9H14N2/c1-2-7-11-9-6-4-3-5-8(9)10/h3-6,11H,2,7,10H2,1H3
(3)InChIKey: WHVUPKSFLNXRHY-UHFFFAOYSA-N