Basic information
- Standard SMILES
NCCCC=O- InChIKey
DZQLQEYLEYWJIB-UHFFFAOYSA-N- Molecular formula
- C4H9NO
- Average molar mass
- 87.12 g/mol
- Monoisotopic mass
- 87.06841391
Overview
4-aminobutanal is an -aminoaldehyde that is butanal in which one of the hydrogens of the terminal methyl group has been replaced by an amino group. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is an aminobutanal and an omega-aminoaldehyde. It is a conjugate base of a 4-ammoniobutanal.
Names & identifiers
- Preferred name
- 4-Aminobutanal
- IUPAC
- 4-aminobutanal
- English name
- 4-aminobutanal
- Molecular formula
- C4H9NO
- Molecular weight
- 87.12
Names & synonyms
4-aminobutanal4-aminobutyraldehyde4390-05-0Butanal, 4-amino-gamma-aminobutyraldehyde4-amino-butyraldehydeDTXSID50863389VTX8N8R7G2CHEBI:17769RefChem:97843DTXCID10812015Butyraldehyde, 4-amino-
Show more names
γ-AminobutyraldehydeZolmitriptan Impurity 15 (4-Aminobutanal)
4-Azanylbutanal4-amino-butanalDZQLQEYLEYWJIB-UHFFFAOYSA-NSCHEMBL60217SCHEMBL60496Butanal, 4-amino- (9CI)GTPL6606SCHEMBL2851902
Database identifiers
- CAS
4390-05-0- PubChem CID
- 118
- DTXSID
DTXSID50863389- ChEMBL
CHEMBL2261442- ChEBI
CHEBI:17769- UNII
- VTX8N8R7G2
- Nikkaji
- J38.531J
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 36.5
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 159.9 · 159.9±23.0 °C(Predicted)
- Density
- 0.911 · 0.911±0.06 g/cm3(Predicted)
- pka
- 9.82 · 9.82±0.10(Predicted)
Chemistry & industry
Pharmacology
Tissue LocationsLiver
Cellular LocationsCytoplasm
Upstream & downstream products
Downstream products
Suppliers6 total
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Syntechem Co.,Ltd[email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
BOC Sciences16314854226 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Additional notes
DefinitionChEBI: 4-aminobutanal is an omega-aminoaldehyde that is butanal in which one of the hydrogens of the terminal methyl group has been replaced by an amino group. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is an omega-aminoaldehyde and an aminobutanal. It is a conjugate base of a 4-ammoniobutanal.
Related reactions
1 records
Linked notes
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