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Tryptamine (PC000214)

Record Information
Version1.0
Creation date2015-10-09 22:29:15 UTC
Update date2017-01-19 02:36:17 UTC
FoodComEx IDPC000214
FoodDB RecordFDB000917
Chemical Information
NameTryptamine
DescriptionTryptamine, also known as TRPN, belongs to the class of organic compounds known as tryptamines and derivatives. Tryptamines and derivatives are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine. Tryptamine is a very strong basic compound (based on its pKa). Tryptamine exists in all living organisms, ranging from bacteria to humans. Outside of the human body, Tryptamine has been detected, but not quantified in, several different foods, such as rocket salad, ohelo berries, cashew nuts, chia, and japanese walnuts. This could make tryptamine a potential biomarker for the consumption of these foods. An aminoalkylindole consisting of indole having a 2-aminoethyl group at the 3-position.
CAS Number61-54-1
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(3-Indolyl)ethylamineHMDB
β-(3-Indolyl)ethylaminebiospider
1H-Indole-3-ethanamineChEBI
1H-Indole-3-ethanamine, 9CIdb_source
2-(1H-indol-3-yl)ETHANAMINEChEBI
2-(1H-indol-3-yl)EthylamineHMDB
2-(3-Indolyl)ethylaminedb_source
2-indol-3-yl-AethylaminHMDB
2-indol-3-yl-EthylamineHMDB
3-(2-Aminoethyl)-1H-indoleHMDB
3-(2-Aminoethyl)indoledb_source
3-IndoleethanamineHMDB
3-IndoleethylamineHMDB
TryptaminHMDB
TryptaminiumHMDB
Chemical FormulaC10H12N2
IUPAC name2-(1H-indol-3-yl)ethan-1-amine
InChI IdentifierInChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
InChI KeyAPJYDQYYACXCRM-UHFFFAOYSA-N
Isomeric SMILESNCCC1=CNC2=CC=CC=C12
Average Molecular Weight160.2157
Monoisotopic Molecular Weight160.100048394
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tryptamines and derivatives. Tryptamines and derivatives are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassIndoles and derivatives
Sub ClassTryptamines and derivatives
Direct ParentTryptamines and derivatives
Alternative Parents
Substituents
  • Tryptamine
  • 3-alkylindole
  • Indole
  • 2-arylethylamine
  • Aralkylamine
  • Substituted pyrrole
  • Benzenoid
  • Pyrrole
  • Heteroaromatic compound
  • Azacycle
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Amine
  • Primary amine
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP1.55HANSCH,C ET AL. (1995)
Experimental Water SolubilityNot Available
Melting PointMp 118°DFC
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 1 g
Delivery TimeNot Available
Storage Formsolid
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 J20305
AKSci J92820
AKSci V2315
AKSci HMDB0000303
MetaSci HMDB0000303
Toronto Research Chemicals T894600