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61-50-7 molecular structure
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[2-(1H-indol-3-yl)ethyl]dimethylamine

ChemBase ID: 1284
Molecular Formular: C12H16N2
Molecular Mass: 188.26884
Monoisotopic Mass: 188.13134852
SMILES and InChIs

SMILES:
N(CCc1c2c([nH]c1)cccc2)(C)C
Canonical SMILES:
CN(CCc1c[nH]c2c1cccc2)C
InChI:
InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKey:
DMULVCHRPCFFGV-UHFFFAOYSA-N

Cite this record

CBID:1284 http://www.chembase.cn/molecule-1284.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(1H-indol-3-yl)ethyl]dimethylamine
IUPAC Traditional name
(psychogenic)
dimethyltryptamine
Synonyms
Dimethyltryptamine
CAS Number
61-50-7
PubChem SID
46507463
160964744
PubChem CID
6089
CHEBI ID
28969
CHEMBL
12420
Chemspider ID
5864
DrugBank ID
DB01488
IUPHAR ligand ID
141
KEGG ID
C08302
Unique Ingredient Identifier
WUB601BHAA
Wikipedia Title
Dimethyltryptamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 17.164974  H Acceptors
H Donor LogD (pH = 5.5) -1.0906249 
LogD (pH = 7.4) 0.17050894  Log P 2.3020658 
Molar Refractivity 60.4422 cm3 Polarizability 24.46552 Å3
Polar Surface Area 19.03 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P 2.41  LOG S -2.05 
Solubility (Water) 1.69e+00 g/l 

PROPERTIES

PROPERTIES

Physical Property Pharmacology Properties Bioassay(PubChem)
Melting Point
40°C (104°F) expand Show data source
Boiling Point
160°C (320°F) (@ 0.6 Torr also reported as 80 – 135 °C @ 0.03 Torr) expand Show data source
Density
1.099g/ml g/cm3 expand Show data source
Admin Routes
Oral (with an MAOI), Insufflated, Rectal, Smoked (or vaporized), IM, IV expand Show data source
Legal Status
CD Lic (UK) expand Show data source
S9 (Australia) expand Show data source
Schedule I (US) expand Show data source
Schedule III (Canada) expand Show data source

DETAILS

DETAILS

DrugBank DrugBank Wikipedia Wikipedia
DrugBank - DB01488 external link
Item Information
Drug Groups illicit; experimental
Description An N-methylated indoleamine derivative, a serotonergic hallucinogen found in several plants, especially Prestonia amazonica (Apocynaceae) and in mammalian brain, blood, and urine. It apparently acts as an agonist at some types of serotonin receptors and an antagonist at others. [PubChem]
Indication Some people use this compound as a psychedelic inducing agent.
References
Strassman RJ, Qualls CR: Dose-response study of N,N-dimethyltryptamine in humans. I. Neuroendocrine, autonomic, and cardiovascular effects. Arch Gen Psychiatry. 1994 Feb;51(2):85-97. [Pubmed]
Callaway JC: A proposed mechanism for the visions of dream sleep. Med Hypotheses. 1988 Jun;26(2):119-24. [Pubmed]
External Links
Wikipedia

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Strassman RJ, Qualls CR: Dose-response study of N,N-dimethyltryptamine in humans. I. Neuroendocrine, autonomic, and cardiovascular effects. Arch Gen Psychiatry. 1994 Feb;51(2):85-97. Pubmed
  • • Callaway JC: A proposed mechanism for the visions of dream sleep. Med Hypotheses. 1988 Jun;26(2):119-24. Pubmed
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PATENTS

PATENTS

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INTERNET

INTERNET

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