1,4-Butanediamine, N-(3-aminopropyl)-N'-ethyl-
Basic information
- CAS
110539-42-9- Standard SMILES
CCNCCCCNCCCN- InChIKey
NBQCAFSSDFAIKS-UHFFFAOYSA-N- Molecular formula
- C9H23N3
- Average molar mass
- 173.3 g/mol
- Monoisotopic mass
- 173.18919775
Names & identifiers
- Preferred name
- 1,4-Butanediamine, N-(3-aminopropyl)-N'-ethyl-
- IUPAC
- N'-(3-aminopropyl)-N-ethylbutane-1,4-diamine
Names & synonyms
1,4-Butanediamine, N-(3-aminopropyl)-N'-ethyl-110539-42-9DTXSID20332214RefChem:220280DTXCID70283308(ethyl)spermidineCHEMBL36145SCHEMBL5386129N~1~-(3-Aminopropyl)-N~4~-ethylbutane-1,4-diamine
Database identifiers
- CAS
110539-42-9- PubChem CID
- 446182
- DTXSID
DTXSID20332214- ChEMBL
CHEMBL36145- Nikkaji
- J849.851B
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 76.2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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