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14213-12-8

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Basic Information
CAS No.: 14213-12-8
Name: 3-(1H-TETRAZOL-1-YL)ANILINE HYDROCHLORIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 14213-12-8 (3-(1H-TETRAZOL-1-YL)ANILINE HYDROCHLORIDE)
Formula: C7H7N5
Molecular Weight: 161.166
Synonyms: 1H-Tetrazole,1-(m-aminophenyl)- (8CI);3-(1H-Tetrazol-1-yl)aniline;3-Tetrazol-1-yl-phenylamine;
Density: 1.46 g/cm3
Boiling Point: 393.7 °C at 760 mmHg
Flash Point: 191.9 °C
PSA: 69.62000
LogP: 0.82570
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Specification

The Benzenamine,3-(1H-tetrazol-1-yl)-, with the CAS registry number 14213-12-8, is also known as 3-Tetrazol-1-yl-phenylamine. This chemical's molecular formula is C7H7N5 and molecular weight is 161.16. What's more, its systematic name is 3-(tetrazol-1-yl)aniline.

Physical properties of Benzenamine,3-(1H-tetrazol-1-yl)- are: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 46.84 Å2; (7)Index of Refraction: 1.749; (8)Molar Refractivity: 44.73 cm3; (9)Molar Volume: 109.8 cm3; (10)Polarizability: 17.73×10-24cm3; (11)Surface Tension: 68 dyne/cm; (12)Density: 1.46 g/cm3; (13)Flash Point: 191.9 °C; (14)Enthalpy of Vaporization: 64.36 kJ/mol; (15)Boiling Point: 393.7 °C at 760 mmHg; (16)Vapour Pressure: 2.09E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)N)N2C=NN=N2
(2)InChI: InChI=1S/C7H7N5/c8-6-2-1-3-7(4-6)12-5-9-10-11-12/h1-5H,8H2
(3)InChIKey: YXWXLBHIUVBLIH-UHFFFAOYSA-N