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2-Methyl-N, N-Dimethyl Tryptamine

CAT: 1596-AR-T06120-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T06120-01Size:10 Units
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CAS Number
1080-95-1
Molecular Formula
C13H18N2
Molecular Weight
202.30
API Name
Tryptamine

Chemical Information

2,N,N-Trimethyltryptamine
CAS Number1080-95-1
PubChem CID11820174
IUPAC NameN,N-dimethyl-2-(2-methyl-1H-indol-3-yl)ethanamine
Molecular FormulaC13H18N2
Molecular Weight202.30
XLogP2.7
Topological Polar Surface Area19
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity203
SMILES
CC1=C(C2=CC=CC=C2N1)CCN(C)C
InChI
InChI=1S/C13H18N2/c1-10-11(8-9-15(2)3)12-6-4-5-7-13(12)14-10/h4-7,14H,8-9H2,1-3H3
InChIKey
NDGCOWDSLVNLGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,N,N-Trimethyltryptamine
CAS: 1080-95-1
CID: 11820174
Formula: C13H18N2
MW: 202.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight202.30
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass202.146998583
Monoisotopic Mass202.146998583
Topological Polar Surface Area19 Ų
Heavy Atom Count15
Formal Charge0
Complexity203
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