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7-Methyltryptamine

CAT: 0024-sc-227121Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-227121Size:100 mg
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CAS Number
14490-05-2

Chemical Information

7-Methyltryptamine

RN given refers to parent cpd

CAS Number14490-05-2
PubChem CID26714
IUPAC Name2-(7-methyl-1H-indol-3-yl)ethanamine
Molecular FormulaC11H14N2
Molecular Weight174.24
XLogP1.7
Topological Polar Surface Area41.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity169
SMILES
CC1=C2C(=CC=C1)C(=CN2)CCN
InChI
InChI=1S/C11H14N2/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10/h2-4,7,13H,5-6,12H2,1H3
InChIKey
SGGBZKQTWMKXHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Methyltryptamine
CAS: 14490-05-2
CID: 26714
Formula: C11H14N2
MW: 174.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight174.24
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass174.115698455
Monoisotopic Mass174.115698455
Topological Polar Surface Area41.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity169
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