4-(2-Methyl-1H-imidazol-1-yl)phenylamine supplier

Name
4-(2-METHYLIMIDAZOL-1-YL)PHENYLAMINE
EINECS
CAS No. 74852-81-6
Article Data13
CAS DataBase
Density 1.171 g/cm³
Solubility
Melting Point 111.5 °C
Formula C₁₀H₁₁N₃
Boiling Point 378.506 °C at 760 mmHg
Molecular Weight 173.217
Flash Point 182.714 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 41
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(4-Aminophenyl)-2-methylimidazole;4-(2-Methyl-1H-imidazol-1-yl)aniline;
PSA 43.84000
LogP 2.34410

4-(2-Methyl-1H-imidazol-1-yl)phenylamine Specification

This chemical is called 4-(2-Methyl-1H-imidazol-1-yl)phenylamine, and it can also be named as Benzenamine, 4-(2-methyl-1H-imidazol-1-yl)-. With the molecular formula of C₁₀H₁₁N₃, its molecular weight is 173.21. The CAS registry number of this chemical is 74852-81-6.

Other characteristics of the 4-(2-Methyl-1H-imidazol-1-yl)phenylamine can be summarised as followings: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.139; (4)ACD/LogD (pH 7.4): 1.666; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 9.028; (7)ACD/KOC (pH 5.5): 4.015; (8)ACD/KOC (pH 7.4): 135.06; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.84 Å²; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 52.27 cm³; (15)Molar Volume: 147.895 cm³; (16)Polarizability: 20.721×10^-24cm³; (17)Surface Tension: 45.627 dyne/cm; (18)Density: 1.171 g/cm³; (19)Flash Point: 182.714 °C; (20)Enthalpy of Vaporization: 62.641 kJ/mol; (21)Boiling Point: 378.506 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cc1nccn1c2ccc(cc2)N
2.InChI: InChI=1/C10H11N3/c1-8-12-6-7-13(8)10-4-2-9(11)3-5-10/h2-7H,11H2,1H3
3.InChIKey: IEZCMVRWKNEHJB-UHFFFAOYAM
4.Std. InChI: InChI=1S/C10H11N3/c1-8-12-6-7-13(8)10-4-2-9(11)3-5-10/h2-7H,11H2,1H3
5.Std. InChIKey: IEZCMVRWKNEHJB-UHFFFAOYSA-N

Product Name

4-(2-METHYLIMIDAZOL-1-YL)PHENYLAMINE

4-(2-Methyl-1H-imidazol-1-yl)phenylamine Specification

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