Record Information
Version1.0
Creation date2010-04-08 22:10:04 UTC
Update date2020-09-17 15:30:48 UTC
Primary IDFDB012241
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name1-Propylamine
Description1-Propylamine, also known as 1-aminopropane or propylamine, belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing a primary aliphatic amine group. 1-Propylamine is a weak base and a colorless volatile liquid with an ammoniacal taste. 1-Propylamine is found in higher concentrations in yellow bell peppers, red bell peppers, and pepper (Capsicum annuum) and in lower concentrations in orange bell peppers and green bell peppers. 1-Propylamine has also been detected in common grapes and wild celeries. This could make 1-propylamine a potential biomarker for the consumption of these foods. Propyl amine hydrochloride can be prepared by reacting 1-propanol with ammonium chloride at high temperature and pressure using a Lewis acid catalyst such as ferric chloride.
CAS Number107-10-8
Structure
Thumb
Synonyms
SynonymSource
1-AminopropaneChEBI
1-PropanamineChEBI
mono-N-PropylamineChEBI
N-PropylamineChEBI
(C10-C16) AlkylalkoxypropyleneamineHMDB
(C10-C16)AlkylalkoxypropyleneamineHMDB
(C12-C18) AlkylalkoxypropyleneamineHMDB
(C12-C18)Alkyl alkoxypropylene amineHMDB
(C14-C18)AlkylalkoxypropyleneamineHMDB
(C16-C22)Alkyl alkoxypropyleneamineHMDB
(C6-C12) AlkylalkoxypropyleneamineHMDB
(C6-C12)AlkylalkoxypropyleneamineHMDB
1-Propanamine, 3-(C10-16-alkyloxy) derivs.HMDB
1-Propanamine, 3-(C12-18-alkyloxy) derivs.HMDB
1-Propanamine, 3-(C14-18-alkyloxy) derivs.HMDB
1-Propanamine, 3-(C16-22-alkyloxy) derivs.HMDB
1-Propanamine, 3-(C6-12-alkyloxy) derivs.HMDB
3-AMINOPROPYLHMDB
AYEHMDB
MonopropylamineHMDB
N-C3H7NH2HMDB
N-Propyl amineHMDB
Propan-1-amineHMDB
PropanamineHMDB
Propanamine, 9ciHMDB
Propyl aminesHMDB
PropylamineHMDB
1-PropylamineChEBI
Mono-n-propylaminebiospider
n-C3H7NH2biospider
N-propyl aminebiospider
N-propylaminebiospider
propan-1-aminebiospider
Propanamine, 9CIdb_source
Propylamine [UN1277] [Flammable liquid]biospider
Predicted PropertiesNot Available
Chemical FormulaC3H9N
IUPAC name
InChI IdentifierInChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
InChI KeyWGYKZJWCGVVSQN-UHFFFAOYSA-N
Isomeric SMILESCCCN
Average Molecular Weight59.1103
Monoisotopic Molecular Weight59.073499293
Classification
Description Belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct ParentMonoalkylamines
Alternative Parents
Substituents
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 60.96%; H 15.35%; N 23.70%DFC
Melting PointFp -83°DFC
Boiling PointBp 49°DFC
Experimental Water Solubility1000 mg/mL at 20 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Experimental logP0.48HANSCH,C ET AL. (1995)
Experimental pKapKa 10.4 (30°)DFC
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
Densityd204 0.72DFC
Refractive Indexn20D 1.3910DFC
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID7564
ChEMBL IDCHEMBL14409
KEGG Compound IDNot Available
Pubchem Compound ID7852
Pubchem Substance IDNot Available
ChEBI ID39870
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB34006
CRC / DFC (Dictionary of Food Compounds) IDHFH43-D:HFH43-D
EAFUS ID3191
Dr. Duke IDN-PROPYL-AMINE
BIGG IDNot Available
KNApSAcK IDNot Available
HET ID3CN
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1049651
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
ammoniacal
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).