Cyanomethylformamide
Basic information
- CAS
5018-27-9- Standard SMILES
N#CCNC=O- InChIKey
HHENWUYAOCBSAE-UHFFFAOYSA-N- Molecular formula
- C3H4N2O
- Average molar mass
- 84.08 g/mol
- Monoisotopic mass
- 84.03236276
Names & identifiers
- Preferred name
- Cyanomethylformamide
- IUPAC
- N-(cyanomethyl)formamide
- English name
- Cyanomethylformamide
- Molecular formula
- C3H4N2O
- Molecular weight
- 84.08
Names & synonyms
CyanomethylformamideN-(cyanomethyl)formamide5018-27-9Formamide, N-(cyanomethyl)-NSC607748Cyanomethylformamide #Formamide, N-cyanomethyl-SCHEMBL1751682SCHEMBL1759861SCHEMBL1950992SCHEMBL38685181DTXSID80326659
Show more names
HHENWUYAOCBSAE-UHFFFAOYSA-NAKOS006352085NSC-607748EN300-7058345
Database identifiers
- CAS
5018-27-9- PubChem CID
- 354967
- DTXSID
DTXSID80326659- Nikkaji
- J129.432F
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 80
Physicochemical properties
- Boiling point
- 125 · 125-127 °C(Press: 1 Torr)
- Density
- 1.083 · 1.083±0.06 g/cm3(Predicted)
- pka
- 13.41 · 13.41±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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