[cyano(dimethylamino)phosphoryl]formonitrile

• ChemBase ID: 127089
• Molecular Formular: C4H6N3OP
• Molecular Mass: 143.083701
• Monoisotopic Mass: 143.02484846
• SMILES: CN(C)P(=O)(C#N)C#N
• Canonical SMILES: CN(P(=O)(C#N)C#N)C
• InChI: InChI=1S/C4H6N3OP/c1-7(2)9(8,3-5)4-6/h1-2H3
• InChIKey: REFCDSGCMMWWTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [cyano(dimethylamino)phosphoryl]formonitrile
• IUPAC Traditional name: [cyano(dimethylamino)phosphoryl]formonitrile
• Synonyms: (Dimethylamido)phosphoryl dicyanide; N,N-Dimethylphosphoramidodicyanidate; Dimethylamidophosphoric dicyanide

Database IDs

• PubChem SID: 162221412
• PubChem CID: 12673; 71308183
• Chemspider ID: 26327732
• Wikipedia Title: Dimethylamidophosphoric_dicyanide

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.483
• LogD (pH = 7.4): -0.483
• Log P: -0.483
• Molar Refractivity: 33.8475 cm^3
• Polarizability: 12.350998 Å^3
• Polar Surface Area: 67.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C); Highly flammable (F+); Nature polluting (N); Highly toxic (T+)
• Risk Statements: R26/27/28, R15/29
• Safety Statements: R
• NFPA704:
  

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