1H-Imidazole-5-carboxamide,N,N-dimethyl-1-(phenylmethyl)- supplier

Name
N,N-DIMETHYL 1-BENZYL-1H-IMIDAZOLE-5-CARBOXAMIDE
EINECS
CAS No. 850429-56-0
Density 1.1 g/cm³
Solubility
Melting Point 124-128 °C
Formula C₁₃H₁₅N₃O
Boiling Point 439.2 °C at 760 mmHg
Molecular Weight 229.28
Flash Point 219.4 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Benzyl-N,N-dimethyl-1H-imidazole-5-carboxamide;3-Benzyl-N,N-dimethylimidazole-4-carboxamide;1-Benzyl-5-(dimethylcarbamoyl)-1H-imidazole;N,N-Dimethyl-1-benzyl-1H-imidazole-5-carboxamide;
PSA 38.13000
LogP 1.63320

1H-Imidazole-5-carboxamide,N,N-dimethyl-1-(phenylmethyl)- Specification

The 1H-Imidazole-5-carboxamide,N,N-dimethyl-1-(phenylmethyl)-, with the CAS registry number 850429-56-0, is also known as N,N-Dimethyl-1-benzyl-1H-imidazole-5-carboxamide. It belongs to the product categories of Blocks; Carboxes; Imidazoles. This chemical's molecular formula is C₁₃H₁₅N₃O and molecular weight is 340.24. What's more, its systematic name is 3-Benzyl-N,N-dimethylimidazole-4-carboxamide.

Physical properties of 1H-Imidazole-5-carboxamide,N,N-dimethyl-1-(phenylmethyl)- are: (1)ACD/LogP: -0.32; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 38.13 Å²; (7)Index of Refraction: 1.58; (8)Molar Refractivity: 68.8 cm³; (9)Molar Volume: 206.7 cm³; (10)Polarizability: 27.27×10^-24cm³; (11)Surface Tension: 41.6 dyne/cm; (12)Density: 1.1 g/cm³; (13)Flash Point: 219.4 °C; (14)Enthalpy of Vaporization: 69.62 kJ/mol; (15)Boiling Point: 439.2 °C at 760 mmHg; (16)Vapour Pressure: 6.48E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C)C(=O)C1=CN=CN1CC2=CC=CC=C2
(2)InChI: InChI=1S/C13H15N3O/c1-15(2)13(17)12-8-14-10-16(12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3
(3)InChIKey: GXZORRZVOFHVJZ-UHFFFAOYSA-N

Product Name

N,N-DIMETHYL 1-BENZYL-1H-IMIDAZOLE-5-CARBOXAMIDE

1H-Imidazole-5-carboxamide,N,N-dimethyl-1-(phenylmethyl)- Specification

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