-
Name
2-(2-Methyl-1H-imidazol-1-yl)benzylamine
- EINECS
- CAS No. 876717-29-2
- Density 1.14g/cm3
- Solubility
- Melting Point 48 °C
- Formula C11H13N3
- Boiling Point 383 °C at 760 mmHg
- Molecular Weight 187.24102
- Flash Point 185.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
-
Hazard Symbols
C
- Synonyms 2-(2-Methyl-1H-imidazol-1-yl)benzylamine;2-(2-Methyl-1H-imidazol-1-yl)benzylamine 97%;1-[2-(2-methyl-1H-imidazol-1-yl)phenyl]methanamine(SALTDATA: FREE);1-[2-(2-methyl-1H-imidazol-1-yl)phenyl]methanamine
- PSA 43.84000
- LogP 2.33970
Benzenemethanamine,2-(2-methyl-1H-imidazol-1-yl)- Specification
The Benzenemethanamine,2-(2-methyl-1H-imidazol-1-yl)-, with CAS registry number 876717-29-2, has the systematic name of 1-[2-(2-methyl-1H-imidazol-1-yl)phenyl]methanamine. And the chemical formula of this chemical is C11H13N3.
Physical properties of Benzenemethanamine,2-(2-methyl-1H-imidazol-1-yl)-: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.6; (4)ACD/LogD (pH 7.4): -0.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.33; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 56.87 cm3; (15)Molar Volume: 164 cm3; (16)Polarizability: 22.54×10-24cm3; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 185.4 °C; (20)Enthalpy of Vaporization: 63.15 kJ/mol; (21)Boiling Point: 383 °C at 760 mmHg; (22)Vapour Pressure: 4.54E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n2ccn(c1c(cccc1)CN)c2C
(2)InChI: InChI=1/C11H13N3/c1-9-13-6-7-14(9)11-5-3-2-4-10(11)8-12/h2-7H,8,12H2,1H3
(3)InChIKey: JCHDRPRQPSKZQK-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C11H13N3/c1-9-13-6-7-14(9)11-5-3-2-4-10(11)8-12/h2-7H,8,12H2,1H3
(5)Std. InChIKey: JCHDRPRQPSKZQK-UHFFFAOYSA-N
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