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5-Hydroxymethyl-N,N-dimethyltryptamine

CAT: 0572-TRC-H946830-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H946830-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
334981-08-7
Synonyms
1H-Indole-5-methanol, 3-[2-(dimethylamino)ethyl]-; 3-[2-(Dimethylamino)ethyl]-1H-indole-5-methanol; 5-Hydroxymethyl-N,N-dimethyltryptamine; Sumatriptan Test Mix for Impurity Identification Solution 2; GR 44671X (as oxalate salt)
Hazard Statement
Harmful if swallowed
Smiles
CN(C)CCc1c[nH]c2ccc(CO)cc12
Molecular Formula
C13 H18 N2 O
Molecular Weight
218.29
InChI
InChI=1S/C13H18N2O/c1-15(2)6-5-11-8-14-13-4-3-10(9-16)7-12(11)13/h3-4,7-8,14,16H,5-6,9H2,1-2H3
Additionnal Information
IUPAC name: [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

5-Hydroxymethyl-N,N-dimethyltryptamine
CAS Number334981-08-7
PubChem CID10262849
IUPAC Name[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
Molecular FormulaC13H18N2O
Molecular Weight218.29
XLogP1.1
Topological Polar Surface Area39.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity220
SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)CO
InChI
InChI=1S/C13H18N2O/c1-15(2)6-5-11-8-14-13-4-3-10(9-16)7-12(11)13/h3-4,7-8,14,16H,5-6,9H2,1-2H3
InChIKey
QISRIZCNFDUGMK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxymethyl-N,N-dimethyltryptamine
CAS: 334981-08-7
CID: 10262849
Formula: C13H18N2O
MW: 218.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.29
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass218.141913202
Monoisotopic Mass218.141913202
Topological Polar Surface Area39.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity220
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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JNA98108-015-Hydroxymethyl-N, N-dimethyltryptamine
MBS6053863-015-Hydroxymethyl-N,N-dimethyltryptamine
CS-T-793045-Hydroxymethyl-N, N-Dimethyltryptamine-d6
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T203087-015-Bromo-N, N-dimethyltryptamine
Q-102405-015-Hydroxy-N, N-dimethyltryptamine
459982N, N-Dimethyltryptamine
M-4669-015-Methoxy-N, N-dimethyltryptamine hydrobromide
M-4668-015-Methoxy-N, N-dimethyltryptamine hydrochloride
AR-T06117-015-Methoxy-N, N-dimethyltryptamine-d6

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