Basic Information | Post buying leads | Suppliers |
Name |
Benzenemethanamine, 4-(1H-imidazol-1-yl)-N-methyl- |
EINECS | N/A |
CAS No. | 179873-45-1 | Density | 1.08 g/cm3 |
PSA | 29.85000 | LogP | 1.98260 |
Solubility | N/A | Melting Point |
67 °C |
Formula | C11H13N3 | Boiling Point | 327.4 °C at 760 mmHg |
Molecular Weight | 187.24 | Flash Point | 151.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes |
C:Corrosive; |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
1-[4-(1H-Imidazol-1-yl)phenyl]-N-methylmethanamine;N-[4-(1H-Imidazol-1-yl)benzyl]-N-methylamine; |
This chemical is called Benzenemethanamine, 4-(1H-imidazol-1-yl)-N-methyl-, and its systematic name is 1-[4-(1H-imidazol-1-yl)phenyl]-N-methylmethanamine. With the molecular formula of C11H13N3, its molecular weight is 187.24. The CAS registry number of this chemical is 179873-45-1.
Other characteristics of the Benzenemethanamine, 4-(1H-imidazol-1-yl)-N-methyl- can be summarised as followings: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 21.06 Å2; (7)Index of Refraction: 1.589; (8)Molar Refractivity: 58.01 cm3; (9)Molar Volume: 171.9 cm3; (10)Polarizability: 23×10-24cm3; (11)Surface Tension: 41.1 dyne/cm; (12)Density: 1.08 g/cm3; (13)Flash Point: 151.8 °C; (14)Enthalpy of Vaporization: 56.97 kJ/mol; (15)Boiling Point: 327.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000203 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n2ccn(c1ccc(cc1)CNC)c2
2.InChI: InChI=1/C11H13N3/c1-12-8-10-2-4-11(5-3-10)14-7-6-13-9-14/h2-7,9,12H,8H2,1H3
3.InChIKey: VZIBQMZVUZDSFA-UHFFFAOYAV