Basic information
- CAS
14278-49-0- Standard SMILES
CC(=O)NCCCNCCCCN- InChIKey
MQTAVJHICJWXBR-UHFFFAOYSA-N- Molecular formula
- C9H21N3O
- Average molar mass
- 187.28 g/mol
- Monoisotopic mass
- 187.1684623
Overview
N(1)-acetylspermidine is an acetylspermidine having the acetyl group at the N1-position. It has a role as a metabolite and an Escherichia coli metabolite. It is a conjugate base of a N(1)-acetylspermidinium(2+).
Names & identifiers
- Preferred name
- N1-Acetylspermidine
- IUPAC
- N-[3-(4-aminobutylamino)propyl]acetamide
- English name
- N-[3-(4-aminobutylamino)propyl]acetamide
- Molecular formula
- C9H21N3O
- Molecular weight
- 187.28
Names & synonyms
N1-Acetylspermidine14278-49-0N(1)-AcetylspermidineN-(3-((4-Aminobutyl)amino)propyl)acetamide1-N-AcetylspermidineN-AcetylspermidineN-{3-[(4-aminobutyl)amino]propyl}acetamideAcetamide, N-[3-[(4-aminobutyl)amino]propyl]-DJ8JN32D6YCHEBI:17927DTXSID80162175Acetamide, N-(3-((4-aminobutyl)amino)propyl)-
Show more names
N-[3-(Acetylamino)propyl]-1,4-butanediamine
N-[3-[(4-Aminobutyl)amino]propyl]acetamideRefChem:927372DTXCID8084666N-[3-(4-aminobutylamino)propyl]acetamideCHEMBL176800an N-acetylspermidinen-(3-((4-aminobutyl)amino)propyl)-acetamideSCHEMBL183048
Database identifiers
- CAS
14278-49-0- PubChem CID
- 496
- DTXSID
DTXSID80162175- ChEMBL
CHEMBL176800- ChEBI
CHEBI:17927- UNII
- DJ8JN32D6Y
- Nikkaji
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 128
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 380.5 · 380.5±27.0 °C(Predicted)
- Density
- 0.957 · 0.957±0.06 g/cm3(Predicted)
- pka
- 16.38 · 16.38±0.46(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers2 total
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Additional notes
DefinitionChEBI: N(1)-acetylspermidine is an acetylspermidine having the acetyl group at the N1-position. It has a role as a metabolite and an Escherichia coli metabolite. It is a conjugate base of a N(1)-acetylspermidinium(2+).
Related reactions
0 records
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Compound notes
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