Basic information
- CAS
13183-21-6- Standard SMILES
CCCC=NNC(N)=O- InChIKey
YRBQCUYYYJZPKC-UHFFFAOYSA-N- Molecular formula
- C5H11N3O
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.09021198
Names & identifiers
- Preferred name
- Hydrazinecarboxamide, 2-butylidene-
- IUPAC
- (butylideneamino)urea
- English name
- Butanal semicarbazone
- Molecular formula
- C5H11N3O
- Molecular weight
- 129.16
Names & synonyms
Hydrazinecarboxamide, 2-butylidene-13183-21-6DTXSID70338307RefChem:348186DTXCID00289393(butylideneamino)ureabutyraldehyde semicarbazoneButanal semicarbazone2-Butylidenehydrazine-1-carboxamide
Database identifiers
- CAS
13183-21-6- PubChem CID
- 548232
- DTXSID
DTXSID70338307
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Melting point
- 188 °C · 188 °C
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 12.25 · 12.25±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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