Benzenamine,4-(1-methyl-1H-tetrazol-5-yl)- supplier

Name
4-(1-Methyl-1H-tetrazol-5-yl)phenylAmine
EINECS
CAS No. 382637-68-5
Article Data5
CAS DataBase
Density 1.4 g/cm³
Solubility
Melting Point
Formula C₈H₉N₅
Boiling Point 392.322 °C at 760 mmHg
Molecular Weight 175.193
Flash Point 191.07 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(1-Methyl-1H-tetrazol-5-yl)phenylamine;4-(1-Methyl-1H-tetrazol-5-yl)aniline;
PSA 69.62000
LogP 1.04050

Benzenamine,4-(1-methyl-1H-tetrazol-5-yl)- Specification

The Benzenamine,4-(1-methyl-1H-tetrazol-5-yl)-, with the CAS registry number 382637-68-5, is also known as 4-(1-Methyl-1H-tetrazol-5-yl)phenylamine. This chemical's molecular formula is C₈H₉N₅ and molecular weight is 175.19. What's more, its systematic name is 4-(1-methyl-1H-tetrazol-5-yl)aniline.

Physical properties of Benzenamine,4-(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): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 53; (8)ACD/KOC (pH 7.4): 53; (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: 191.07 °C; (20)Enthalpy of Vaporization: 64.205 kJ/mol; (21)Boiling Point: 392.322 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cn2nnnc2c1ccc(N)cc1
(2)InChI: InChI=1S/C8H9N5/c1-13-8(10-11-12-13)6-2-4-7(9)5-3-6/h2-5H,9H2,1H3
(3)InChIKey: SKVMRLXRFMCIFD-UHFFFAOYSA-N

Product Name

4-(1-Methyl-1H-tetrazol-5-yl)phenylAmine

Benzenamine,4-(1-methyl-1H-tetrazol-5-yl)- Specification

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