Acetamide,2-cyano-N-(phenylmethyl)- supplier

Name
N-BENZYL-2-CYANOACETAMIDE
EINECS
CAS No. 10412-93-8
Article Data39
CAS DataBase
Density 1.126 g/cm³
Solubility
Melting Point 120-122 °C
Formula C₁₀H₁₀N₂O
Boiling Point 425.2 °C at 760 mmHg
Molecular Weight 174.202
Flash Point 211 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms Acetamide,N-benzyl-2-cyano- (7CI,8CI);N-(2-Cyanoacetyl)benzylamine;N-Benzyl-2-cyanoacetamide;N-Benzylcyanoacetamide;
PSA 52.89000
LogP 1.60738

Acetamide,2-cyano-N-(phenylmethyl)- Specification

The Acetamide,2-cyano-N-(phenylmethyl)- is an organic compound with the formula C₁₀H₁₀N₂O. The systematic name of this chemical is N-benzyl-2-cyanoacetamide. With the CAS registry number 10412-93-8, it is also named as Aurora KA-4818; Akos BBS-00006378. In addition, the molecular weight is 174.2.

The other characteristics of Acetamide,2-cyano-N-(phenylmethyl)- can be summarized as: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): -1.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.85; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.1 Å²; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 48.6 cm³; (15)Molar Volume: 154.5 cm³; (16)Polarizability: 19.26×10^-24 cm³; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.126 g/cm³; (19)Flash Point: 211 °C; (20)Enthalpy of Vaporization: 67.98 kJ/mol; (21)Boiling Point: 425.2 °C at 760 mmHg; (22)Vapour Pressure: 1.95E-07 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:N#CCC(=O)NCc1ccccc1
2. InChI:InChI=1/C10H10N2O/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6,8H2,(H,12,13)
3. InChIKey:JQVMRGYDSQFFJC-UHFFFAOYAE
4. Std. InChI:InChI=1S/C10H10N2O/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6,8H2,(H,12,13)
5. Std. InChIKey:JQVMRGYDSQFFJC-UHFFFAOYSA-N

Product Name

N-BENZYL-2-CYANOACETAMIDE

Acetamide,2-cyano-N-(phenylmethyl)- Specification

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