Basic information
- CAS
57536-14-8- Standard SMILES
CCCCOC(=N)N- InChIKey
RVBFJJRQNLWPJO-UHFFFAOYSA-N- Molecular formula
- C5H12N2O
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.09496301
Names & identifiers
- Preferred name
- O-Butylisourea
- IUPAC
- butyl carbamimidate
- English name
- Carbamimidic acid butyl ester
- Molecular formula
- C5H12N2O
- Molecular weight
- 116.16
Names & synonyms
O-Butylisoureabutyl carbamimidateCarbamimidic acid, butyl esterurea, O-n-butyl-57536-14-8Butyl imidocarbamate #SCHEMBL18532680DTXSID60338316RVBFJJRQNLWPJO-UHFFFAOYSA-NAKOS006338213Carbamimidic acid butyl ester
Database identifiers
- CAS
57536-14-8- PubChem CID
- 548337
- DTXSID
DTXSID60338316- Nikkaji
- J301.817B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72.8
Physicochemical properties
- Boiling point
- 146.3 · 146.3±23.0 °C(Predicted)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- pka
- 9.74 · 9.74±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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