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CHEBI:53653 - 4-(aminomethyl)octane-1,8-diamine

ChEBI IDCHEBI:53653
ChEBI Name4-(aminomethyl)octane-1,8-diamine
Stars
DefinitionA primary amine comprising an octane skeleton with amino substituents at carbon positions 1 and 8; and an aminomethyl substituent at position 5.
Last Modified23 August 2013
Submitterzjosephs
DownloadsMolfile
FormulaC9H23N3
Net Charge0
Average Mass173.304
Monoisotopic Mass173.18920
SMILESNCCCCC(CN)CCCN
InChIInChI=1S/C9H23N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-8,10-12H2
InChIKeyHMJBXEZHJUYJQY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
4-(aminomethyl)octane-1,8-diamine (CHEBI:53653) is a primary amine (CHEBI:32877)
IUPAC Name 
4-(aminomethyl)octane-1,8-diamine
Synonyms  Source
4-aminomethyl-1,8-octanediamineChEBI
1,3,6-Tri(aminomethyl)hexaneChemIDplus
1,8-Diamino-4-aminomethyloctaneChemIDplus
4-(Aminomethyl)-1,8-octanediamineChemIDplus
TriaminononaneChemIDplus
Manual XrefsDatabases
US6350395Patent
Registry NumbersSources
Reaxys:3029083Reaxys
CAS:1572-55-0ChemIDplus
Citations