Basic information
- Standard SMILES
NCCC=O- InChIKey
PCXDJQZLDDHMGX-UHFFFAOYSA-N- Molecular formula
- C3H7NO
- Average molar mass
- 73.09 g/mol
- Monoisotopic mass
- 73.05276384
Overview
3-aminopropanal is a propanal having an amino substituent at the 3-position. It is a member of propanals and an omega-aminoaldehyde. It is a conjugate base of a 3-ammoniopropanal.
Names & identifiers
- Preferred name
- Propanal, 3-amino-
- IUPAC
- 3-aminopropanal
- English name
- 3-aminopropanal
- Molecular formula
- C3H7NO
- Molecular weight
- 73.09
Names & synonyms
3-Aminopropanal352-92-13-AminopropionaldehydePropanal, 3-amino-beta-Aminopropion aldehydeML707Y407UCHEBI:18090DTXSID10188702RefChem:92991DTXCID30111193UNII-ML707Y407Uomega-aminoaldehydes
Show more names
Propanal, 3-amino-(9CI)
SCHEMBL51843SCHEMBL179855orb3179854SCHEMBL1403085SCHEMBL1403371SCHEMBL6628637SCHEMBL7902903CHEBI:27390
Database identifiers
- CAS
352-92-1- PubChem CID
- 75
- DTXSID
DTXSID10188702- ChEBI
CHEBI:18090- UNII
- ML707Y407U
- Nikkaji
- J676.182H
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 28.1
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 45 · 45-46 °C(Press: 12 Torr)
- Density
- 0.924 · 0.924±0.06 g/cm3(Predicted)
- pka
- 8.98 · 8.98±0.10(Predicted)
- FDA UNII
- 707 Y407U · ML707Y407U
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Metabolite Pathwaysbeta-Alanine metabolism
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Additional notes
DefinitionChEBI: A propanal having an amino substituent at the 3-position
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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