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N-Methyltryptamine-d3

CAT: 0931-TMIJ-0440-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0440-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1794756-39-0
Bioactivity
N-Methyltryptamine-d3 is a deuterated compound of N-Methyltryptamine. N-Methyltryptamine has a CAS number of 61-49-4.
Smiles
N(C([2H])([2H])[2H])CCC1C2=C(NC=1)C=CC=C2
Molecular Formula
C11H11D3N2
Molecular Weight
177.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-Methyltryptamine-d3
CAS Number1794756-39-0
PubChem CID71750654
IUPAC Name2-(1H-indol-3-yl)-N-(trideuteriomethyl)ethanamine
Molecular FormulaC11H14N2
Molecular Weight177.26
XLogP2.1
Topological Polar Surface Area27.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity158
SMILES
[2H]C([2H])([2H])NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3/i1D3
InChIKey
NCIKQJBVUNUXLW-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of N-Methyltryptamine-d3
CAS: 1794756-39-0
CID: 71750654
Formula: C11H14N2
MW: 177.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight177.26
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass177.134528693
Monoisotopic Mass177.134528693
Topological Polar Surface Area27.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity158
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes