Benzenamine, 3-(2-methyl-1H-imidazol-1-yl)- supplier

Name
3-(2-methyl-1h-imidazol-1-yl)aniline
EINECS
CAS No. 184098-19-9
Article Data2
CAS DataBase
Density 1.17 g/cm³
Solubility
Melting Point 119.5 °
Formula C₁₀H₁₁N₃
Boiling Point 395 °C at 760 mmHg
Molecular Weight 173.217
Flash Point 192.7 °C
Transport Information
Appearance
Safety 26-39
Risk Codes Harmful:;
Molecular Structure
Hazard Symbols
Synonyms 3-(2-Methylimidazol-1-yl)phenylamine;
PSA 43.84000
LogP 2.34410

Benzenamine, 3-(2-methyl-1H-imidazol-1-yl)- Specification

This chemical is called Benzenamine, 3-(2-methyl-1H-imidazol-1-yl)-, and its systematic name is 3-(2-methyl-1H-imidazol-1-yl)aniline. With the molecular formula of C₁₀H₁₁N₃, its CAS registry number is 184098-19-9.

Other characteristics of the Benzenamine, 3-(2-methyl-1H-imidazol-1-yl)- can be summarised as followings: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.83; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.34; (6)ACD/KOC (pH 5.5): 3.08; (7)ACD/KOC (pH 7.4): 58.93; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 43.84 Å²; (12)Index of Refraction: 1.624; (13)Molar Refractivity: 52.27 cm³; (14)Molar Volume: 147.8 cm³; (15)Polarizability: 20.72×10^-24cm³; (16)Surface Tension: 45.6 dyne/cm; (17)Density: 1.17 g/cm³; (18)Flash Point: 192.7 °C; (19)Enthalpy of Vaporization: 64.51 kJ/mol; (20)Boiling Point: 395 °C at 760 mmHg; (21)Vapour Pressure: 1.9E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cc2nccn2c1cc(N)ccc1
2.InChI: InChI=1/C10H11N3/c1-8-12-5-6-13(8)10-4-2-3-9(11)7-10/h2-7H,11H2,1H3
3.InChIKey: ZDHNDCMKVXWWLA-UHFFFAOYAB

Product Name

3-(2-methyl-1h-imidazol-1-yl)aniline

Benzenamine, 3-(2-methyl-1H-imidazol-1-yl)- Specification

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