Benzenamine,3-(1-methyl-1H-tetrazol-5-yl)- supplier

Name
3-(1-Methyl-1H-tetrazol-5-yl)aniline
EINECS
CAS No. 101258-12-2
Article Data6
CAS DataBase
Density 1.4 g/cm³
Solubility
Melting Point
Formula C₈H₉N₅
Boiling Point 410.442 °C at 760 mmHg
Molecular Weight 175.193
Flash Point 202.028 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Tetrazole,5-(m-aminophenyl)-1-methyl- (6CI);1-Methyl-5-(3-aminophenyl)tetrazole;3-(1-Methyl-1H-tetrazol-5-yl)aniline;
PSA 69.62000
LogP 1.04050

Benzenamine,3-(1-methyl-1H-tetrazol-5-yl)- 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

Product Name

3-(1-Methyl-1H-tetrazol-5-yl)aniline

Benzenamine,3-(1-methyl-1H-tetrazol-5-yl)- Specification

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