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Basic Information
CAS No.: 101258-12-2
Name: 3-(1-Methyl-1H-tetrazol-5-yl)aniline
Article Data: 6
Molecular Structure:
Molecular Structure of 101258-12-2 (3-(1-Methyl-1H-tetrazol-5-yl)aniline)
Formula: C8H9N5
Molecular Weight: 175.193
Synonyms: 1H-Tetrazole,5-(m-aminophenyl)-1-methyl- (6CI);1-Methyl-5-(3-aminophenyl)tetrazole;3-(1-Methyl-1H-tetrazol-5-yl)aniline;
Density: 1.4 g/cm3
Boiling Point: 410.442 °C at 760 mmHg
Flash Point: 202.028 °C
PSA: 69.62000
LogP: 1.04050
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Specification

The Benzenamine,3-(1-methyl-1H-tetrazol-5-yl)-, with the CAS registry number 101258-12-2, is also known as 1-Methyl-5-(3-aminophenyl)tetrazole. This chemical's molecular formula is C8H9N5 and molecular weight is 175.19. What's more, its systematic name is 3-(1-methyl-1H-tetrazol-5-yl)aniline.

Physical properties of Benzenamine,3-(1-methyl-1H-tetrazol-5-yl)- are: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 40; (8)ACD/KOC (pH 7.4): 41; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 69.62 Å2; (13)Index of Refraction: 1.715; (14)Molar Refractivity: 49.16 cm3; (15)Molar Volume: 125.14 cm3; (16)Polarizability: 19.489×10-24cm3; (17)Surface Tension: 58.905 dyne/cm; (18)Density: 1.4 g/cm3; (19)Flash Point: 202.028 °C; (20)Enthalpy of Vaporization: 66.277 kJ/mol; (21)Boiling Point: 410.442 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cn2nnnc2c1cc(N)ccc1
(2)InChI: InChI=1S/C8H9N5/c1-13-8(10-11-12-13)6-3-2-4-7(9)5-6/h2-5H,9H2,1H3
(3)InChIKey: VBBAMBIEAFCKCS-UHFFFAOYSA-N