Record Information
Version1.0
Creation date2015-10-09 22:29:04 UTC
Update date2017-01-19 02:36:15 UTC
FoodComEx IDPC000179
FoodDB RecordFDB005274
Chemical Information
Name1,3-Diaminopropane
Description1,3-Diaminopropane, also known as 1,3-propanediamine or tn, belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group. 1,3-Diaminopropane is a very strong basic compound (based on its pKa). 1,3-Diaminopropane exists in all living species, ranging from bacteria to humans. Outside of the human body, 1,3-Diaminopropane has been detected, but not quantified in, several different foods, such as cassava, shiitakes, oyster mushrooms, muscadine grapes, and cinnamons. This could make 1,3-diaminopropane a potential biomarker for the consumption of these foods. An alkane-alpha,omega-diamine comprising a propane skeleton with amino substituents at positions 1 and 3.
CAS Number109-76-2
Structure
Thumb
Synonyms
SynonymSource
1,3-Diamino-n-propanebiospider
1,3-Diaminopropanebiospider
1,3-Propanediaminebiospider
1,3-Propylenediaminebiospider
1,3-Trimethylenediaminebiospider
3-Aminopropylaminebiospider
a,w-Propanediaminebiospider
alpha,omega-Propanediaminebiospider
Propandiaminebiospider
Propane-1,3-diaminebiospider
tnChEBI
Trimethylenediaminemanual
Chemical FormulaC3H10N2
IUPAC namepropane-1,3-diamine
InChI IdentifierInChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
InChI KeyXFNJVJPLKCPIBV-UHFFFAOYSA-N
Isomeric SMILESNCCCN
Average Molecular Weight74.1249
Monoisotopic Molecular Weight74.08439833
Chemical Taxonomy
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
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP-1.43HANSCH,C ET AL. (1995)
Experimental Water SolubilityNot Available
Melting Point-12 oC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 200 mg
Delivery TimeNot Available
Storage Formliquid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci A485
iChemical 109-76-2
MetaSci HMDB0000002
Sigma-Aldrich HMDB0000002
Toronto Research Chemicals D416660