Acetamide,2-cyano-N-[(4-methylphenyl)methyl]- supplier

Name
2-CYANO-N-(4-METHYLBENZYL)ACETAMIDE
EINECS
CAS No. 64488-12-6
Article Data4
CAS DataBase
Density 1.101 g/cm³
Solubility
Melting Point 126-128 °C
Formula C₁₁H₁₂N₂O
Boiling Point 432.7 °C at 760 mmHg
Molecular Weight 188.22578
Flash Point 215.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Cyano-n-(4-methylbenzyl)acetamide;2-cyano-N-[(4-methylphenyl)methyl]acetamide;
PSA 52.89000
LogP 1.91578

Acetamide,2-cyano-N-[(4-methylphenyl)methyl]- Specification

The CAS register number of Acetamide,2-cyano-N-[(4-methylphenyl)methyl]- is 64488-12-6. It also can be called as 2-cyano-N-[(4-methylphenyl)methyl]acetamide and the systematic name about this chemical is 2-cyano-N-(4-methylbenzyl)acetamide. The molecular formula about this chemical is C₁₁H₁₂N₂O and the molecular weight is 188.22578.

Physical properties about Acetamide,2-cyano-N-[(4-methylphenyl)methyl]- are: (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 5.5): 0.32; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 24.79; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 44.1 Å²; (11)Index of Refraction: 1.537; (12)Molar Refractivity: 53.43 cm³; (13)Molar Volume: 170.8 cm³; (14)Polarizability: 21.18x10^-24cm³; (15)Surface Tension: 44.9 dyne/cm; (16)Density: 1.101 g/cm³; (17)Flash Point: 215.5 °C; (18)Enthalpy of Vaporization: 68.86 kJ/mol; (19)Boiling Point: 432.7 °C at 760 mmHg; (20)Vapour Pressure: 1.08E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCC(=O)NCc1ccc(cc1)C
(2)InChI: InChI=1/C11H12N2O/c1-9-2-4-10(5-3-9)8-13-11(14)6-7-12/h2-5H,6,8H2,1H3,(H,13,14)
(3)InChIKey: ICLYDXJODBRAID-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C11H12N2O/c1-9-2-4-10(5-3-9)8-13-11(14)6-7-12/h2-5H,6,8H2,1H3,(H,13,14)
(5)Std. InChIKey: ICLYDXJODBRAID-UHFFFAOYSA-N

Product Name

2-CYANO-N-(4-METHYLBENZYL)ACETAMIDE

Acetamide,2-cyano-N-[(4-methylphenyl)methyl]- Specification

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