Basic information
- CAS
136849-70-2- Standard SMILES
NCCCNCCCC=O- InChIKey
JNZUMEMWAPJNLC-UHFFFAOYSA-N- Molecular formula
- C7H16N2O
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.12626314
Overview
N-(3-aminopropyl)-4-aminobutanal is the N-(3-aminopropyl) derivative of 4-aminobutanal. It is a primary aliphatic amine, a secondary aliphatic amine and an alpha-CH2-containing aldehyde. It is a conjugate base of a N-(3-ammoniopropyl)-4-ammoniobutanal.
Names & identifiers
- Preferred name
- 4-((3-Aminopropyl)amino)butanal
- IUPAC
- 4-(3-aminopropylamino)butanal
- English name
- N-(3-Aminopropyl)-4-Aminobutanal
- Molecular formula
- C7H16N2O
- Molecular weight
- 144.21
Names & synonyms
N-(3-aminopropyl)-4-aminobutanal4-[(3-aminopropyl)amino]butanal136849-70-24-(3-aminopropylamino)butanalXG9TU5VE3QCHEBI:518244-((3-Aminopropyl)amino)butanalDTXSID201303916RefChem:1069645DTXCID6017339434-(3-aminopropylamino)butyraldehyde1-(3-aminopropyl)-4-aminobutanal
Show more names
Thermospermine Impurity 11-(3-aminopropyl)-4-aminobutyraldehyde
Spermidine monoaldehyde 1SCHEMBL9721210CHEMBL2261441N-(3-oxopropyl)-1,4-butanediamineN-(3-oxopropyl)-1,4-diaminobutaneAKOS006360152Butanal, 4-[(3-aminopropyl)amino]-C23055
Database identifiers
- CAS
136849-70-2- PubChem CID
- 19913541
- DTXSID
DTXSID201303916- ChEMBL
CHEMBL2261441- ChEBI
CHEBI:51824- UNII
- XG9TU5VE3Q
- Nikkaji
- J2.178.134G
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 76
Experimental & physicochemical properties
Physical DescriptionSolid
Chemistry & industry
Suppliers3 total
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
BOC Sciences16314854226 · [email protected]
Additional notes
DefinitionChEBI: The N-(3-aminopropyl) derivative of 4-aminobutanal.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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