Basic information
- CAS
14049-14-0- Standard SMILES
NC(N)=NCCCC=O- InChIKey
VCOFTLCIPLEZKE-UHFFFAOYSA-N- Molecular formula
- C5H11N3O
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.09021198
Overview
4-guanidinobutanal is a member of butanals. It is a conjugate base of a 4-guanidiniumylbutanal.
Names & identifiers
- Preferred name
- 4-Guanidinobutanal
- IUPAC
- 2-(4-oxobutyl)guanidine
Names & synonyms
4-guanidinobutanal1-(4-oxobutyl)guanidineN-(4-oxobutyl)guanidineCHEBI:16671RefChem:990712-(4-oxobutyl)guanidine14049-14-04-guanidinobutyraldehydeA1AZKC02647SCHEMBL261594orb3179949
Show more names
SCHEMBL1775038SCHEMBL8114212DTXSID801314006AKOS006338151Q27102022
Database identifiers
- CAS
14049-14-0- PubChem CID
- 559
- DTXSID
DTXSID801314006- ChEBI
CHEBI:16671- Nikkaji
- J1.191.009B
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 107
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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