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2-Benzyltryptamine

CAT: 0926-FB18553-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FB18553-02Size:25 mg
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CAS Number
22294-23-1
Synonyms
2- (Phenylmethyl) -1H-indole-3-ethanamine;3- (2-Aminoethyl) -2-benzyl-indole
MDL Number
MFCD02094220
Smiles
C1=CC=C (C=C1) CC2=C (C3=CC=CC=C3N2) CCN
Molecular Formula
C17H18N2
Molecular Weight
250.34 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

2-Benzyltryptamine
CAS Number22294-23-1
PubChem CID817787
IUPAC Name2-(2-benzyl-1H-indol-3-yl)ethanamine
Molecular FormulaC17H18N2
Molecular Weight250.34
XLogP3.3
Topological Polar Surface Area41.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity272
SMILES
C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3N2)CCN
InChI
InChI=1S/C17H18N2/c18-11-10-15-14-8-4-5-9-16(14)19-17(15)12-13-6-2-1-3-7-13/h1-9,19H,10-12,18H2
InChIKey
VTOQIOPOYZGUQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Benzyltryptamine
CAS: 22294-23-1
CID: 817787
Formula: C17H18N2
MW: 250.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.34
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass250.146998583
Monoisotopic Mass250.146998583
Topological Polar Surface Area41.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity272
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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