3-Hydroxycadaverine

HCID 435285

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Basic information

CAS: 38595-00-5
Standard SMILES: NCCC(O)CCN
InChIKey: DCPSTLZVUJTDTC-UHFFFAOYSA-N
Molecular formula: C5H14N2O
Average molar mass: 118.18 g/mol
Monoisotopic mass: 118.11061307

Overview

3-Hydroxycadaverine is an amino alcohol.

Names & identifiers

Preferred name: 3-Hydroxycadaverine
IUPAC: 1,5-diaminopentan-3-ol

Names & synonyms

3-Hydroxycadaverine38595-00-51,5-Diamino-3-pentanolDTXSID50191917RefChem:94273DTXCID901144081,5-diaminopentan-3-ol3-Pentanol, 1,5-diamino-SCHEMBL3229134CHEBI:184422AKOS006295292EN300-1600715

Database identifiers

CAS: 38595-00-5
PubChem CID: 435285
DTXSID: DTXSID50191917
ChEBI: CHEBI:184422
Nikkaji: J1.407.721I

Properties

Computed structural properties

XLogP: -1.6
Topological polar surface area: 72.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 43.7

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