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Indole-3-methanamine (Standard)

CAT: 0804-HY-33893R-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-33893R-01Size:10 mg
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Description
Indole-3-methanamine (Standard) is the analytical standard of Indole-3-methanamine. This product is intended for research and analytical applications. Indole-3-methanamine is a potential biomarker for the consumption of these foods such as barley, cereals, and cereal product[1].
CAS Number
22259-53-6
UNSPSC
12352100
Target
Endogenous Metabolite; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Metabolic Disease
Smiles
NCC1=CNC2=C1C=CC=C2
Molecular Formula
C9H10N2
Molecular Weight
146.19
References & Citations
[1]Indole-3-methanamine.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

1H-Indol-3-Ylmethanamine

Indol-3-ylmethylamine is an aralkylamino compound that is indole substituted at position 3 by an aminomethyl group. It has a role as a metabolite. It is an aminoalkylindole and an aralkylamino compound. It is a conjugate base of an indol-3-ylmethylamine(1+).

CAS Number22259-53-6
PubChem CID472107
IUPAC Name1H-indol-3-ylmethanamine
Molecular FormulaC9H10N2
Molecular Weight146.19
XLogP0.8
Topological Polar Surface Area41.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
C1=CC=C2C(=C1)C(=CN2)CN
InChI
InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2
InChIKey
JXYGLMATGAAIBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-Indol-3-Ylmethanamine
CAS: 22259-53-6
CID: 472107
Formula: C9H10N2
MW: 146.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.19
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass146.084398327
Monoisotopic Mass146.084398327
Topological Polar Surface Area41.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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