Basic information
- CAS
118133-25-8- Standard SMILES
CCCCNC(=O)N1CCNCC1- InChIKey
GDLGILNCCMSFAX-UHFFFAOYSA-N- Molecular formula
- C9H19N3O
- Average molar mass
- 185.27 g/mol
- Monoisotopic mass
- 185.15281224
Names & identifiers
- Preferred name
- N-Butylpiperazine-1-carboxamide
- IUPAC
- N-butylpiperazine-1-carboxamide
- English name
- 1-Piperazinecarboxamide,N-butyl-(9CI)
- Molecular formula
- C9H19N3O
- Molecular weight
- 185.27
Names & synonyms
N-BUTYLPIPERAZINE-1-CARBOXAMIDE118133-25-81-Piperazinecarboxamide,N-butyl-(9CI)1-butylaminocarbonylpiperazineSCHEMBL5956005SCHEMBL7510181DTXSID00602164GDLGILNCCMSFAX-UHFFFAOYSA-N1-Piperazinecarboxamide, N-butyl-
Database identifiers
- CAS
118133-25-8- PubChem CID
- 20074044
- DTXSID
DTXSID00602164
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 372.4 · 372.4±31.0 °C(Predicted)
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
- pka
- 14.4 · 14.40±0.20(Predicted)
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
UKRORGSYN-BB[email protected]
Related reactions
2 records
Compound notes
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