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CHEBI:74848 - pentan-1-amine

Default Structure
ChEBI IDCHEBI:74848
ChEBI Namepentan-1-amine
Stars
DefinitionA primary aliphatic amine that is n-pentane in which a hydrogen of one of the methyl groups is replaced by an amino group. A water-soluble liquid with boiling point 104°C, it is a strong irritant.
Secondary ChEBI IDCHEBI:40781
Last Modified11 September 2023
SubmitterGareth Owen
DownloadsMolfile
FormulaC5H13N
Net Charge0
Average Mass87.166
Monoisotopic Mass87.10480
SMILESCCCCCN
InChIInChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3
InChIKeyDPBLXKKOBLCELK-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
pentan-1-amine (CHEBI:74848) is a primary aliphatic amine (CHEBI:17062)
pentan-1-amine (CHEBI:74848) is conjugate base of pentan-1-aminium (CHEBI:195516)
Incoming Relation(s)
pentan-1-aminium (CHEBI:195516) is conjugate acid of pentan-1-amine (CHEBI:74848)
IUPAC Name 
pentan-1-amine
Synonyms  Source
1-aminopentaneChemIDplus
1-pentanamineChemIDplus
1-pentylamineChemIDplus
CH3(CH2)4NH2ChEBI
n-AmNH2ChEBI
n-amylamineChemIDplus
Manual XrefsDatabases
AMLPDBeChem
CN101619025Patent
DB02045DrugBank
PentylamineWikipedia
Registry NumbersSources
Reaxys:505953Reaxys
CAS:110-58-7ChemIDplus
CAS:110-58-7NIST Chemistry WebBook
Citations