Identification

PhytoHub ID
PHUB000787
Name
Tryptamine
Synonyms
  • 3-(2-Aminoethyl)indole
CAS Number
Not Available
Average Mass
160.2157
Monoisotopic Mass
160.100048394
Chemical Formula
C10H12N2
IUPAC Name
tryptamine
InChI Key
APJYDQYYACXCRM-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
SMILES
NCCC1=CNC2=CC=CC=C12
Structure

Calculated Properties

Solubility (ALOGPS)
1.34e+00 g/l
LogS (ALOGPS)
-2.08
LogP (ALOGPS)
1.21
Hydrogen Acceptors
1
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
41.81
Refractivity
50.37290000000001
Polarizability
18.336363890057264
Formal Charge
0
Physiological Charge
1
pKa (strongest basic)
9.733973681017083
pKa (strongest acidic)
17.170311785836876
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Taxonomy

Family
N-containing compounds
Class
Amines
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
GLS00090MassBankEI-B Spectrum - -, unspecifiedView Spectra
JP002028MassBankEI-B Spectrum - -, [M]+*View Spectra
KO004142MassBankLC-ESI-QQ Spectrum - 10 V, unspecifiedView Spectra
KO004143MassBankLC-ESI-QQ Spectrum - 20 V, unspecifiedView Spectra
KO004144MassBankLC-ESI-QQ Spectrum - 30 V, unspecifiedView Spectra
KO004145MassBankLC-ESI-QQ Spectrum - 40 V, unspecifiedView Spectra
KO004146MassBankLC-ESI-QQ Spectrum - 50 V, unspecifiedView Spectra
KZ000271MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
KZ000272MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
OUF00478MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PR010102MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PR010103MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PS006901ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS006902ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS006903ReSpectN/A Spectrum - 30, [M+H]+View Spectra
PS006904ReSpectN/A Spectrum - 40, [M+H]+View Spectra
WA002432MassBankLC-ESI-Q Spectrum - -, unspecifiedView Spectra
WA002433MassBankLC-ESI-Q Spectrum - -, unspecifiedView Spectra
WA002434MassBankLC-ESI-Q Spectrum - -, unspecifiedView Spectra
WA002435MassBankLC-ESI-Q Spectrum - -, unspecifiedView Spectra
WA002436MassBankLC-ESI-Q Spectrum - -, unspecifiedView Spectra

Food Sources

NameGroup
Cherry tomatoVegetables, Fruit vegetables PublicationsShow
Chinese cabbageVegetables, Cabbages PublicationsShow
Hot chili (Capsicum annuum, C. frutescens)Vegetables, Fruit vegetables PublicationsShow
KiwiFruit, Tropical fruits PublicationsShow
KohlrabiVegetables, Root vegetables PublicationsShow
LettuceVegetables, Leaf vegetables PublicationsShow
StrawberryFruit, Berries PublicationsShow
Swede (Rutabaga)Vegetables, Root vegetables PublicationsShow
TomatoVegetables, Fruit vegetables PublicationsShow

Metabolism

No metabolism information available

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