N-(Cyanomethyl)acetamide

Base Information

• Chemical Name: N-(Cyanomethyl)acetamide
• CAS No.: 4814-80-6
• Molecular Formula: C4H6 N2 O
• Molecular Weight: 98.1044
• Hs Code.: 2926909090
• NSC Number: 607751
• DSSTox Substance ID: DTXSID50326661
• Nikkaji Number: J1.028.784G
• Wikidata: Q82087787
• Mol file: 4814-80-6.mol

Synonyms:N-(Cyanomethyl)acetamide;4814-80-6;Acetamide, N-(cyanomethyl)-;NSC607751;(acetylamino)-acetonitrile;DTXSID50326661;MFCD00019815;AKOS010115715;NSC-607751;LS-06948;N-(Cyanomethyl)acetamide, >=97.0% (CHN);E84005

Chemical Property of N-(Cyanomethyl)acetamide

Chemical Property:

• Vapor Pressure: 8.01E-05mmHg at 25°C
• Melting Point: 68-73 °C
• Refractive Index: 1.427
• Boiling Point: 341.5°C at 760 mmHg
• PKA: 13.53±0.46(Predicted)
• Flash Point: 160.3°C
• PSA: 52.89000
• Density: 1.044g/cm³
• LogP: 0.03698
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 98.048012819
• Heavy Atom Count: 7
• Complexity: 110

Purity/Quality:

98%Min ^*data from raw suppliers

N-(Cyanomethyl)acetamide ≥97.0% (CHN) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NCC#N