Basic information
- CAS
61-51-8- Standard SMILES
CCN(CC)CCc1c[nH]c2ccccc12- InChIKey
LSSUMOWDTKZHHT-UHFFFAOYSA-N- Molecular formula
- C14H20N2
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.16264865
Overview
N,n-diethyltryptamine is a member of tryptamines.
Names & identifiers
- Preferred name
- N,N-Diethyltryptamine
- IUPAC
- N,N-diethyl-2-(1H-indol-3-yl)ethanamine
- English name
- N,N-Diethyltryptamine methanol solution
- Molecular formula
- C14H20N2
- Molecular weight
- 216.32
Names & synonyms
N,N-DiethyltryptamineDiethyltryptamine61-51-83-(2-Diethylaminoethyl)indole1H-Indole-3-ethanamine, N,N-diethyl-916E8V4S2VDTXSID9052763RefChem:822345DTXCID7031373diethyl(2-(1H-indol-3-yl)ethyl)amine102-975-9N,N-Diethyl-2-(1H-indol-3-yl)ethanamine
Show more names
Diethyltryptamine (DET)LSSUMOWDTKZHHT-UHFFFAOYSA-N3-(2-(diethylamino)ethyl)-indoln,n-diethyl-1h-indole-3-ethanamin
INDOLE, 3-(2-(DIETHYLAMINO)ETHYL)-CHEMBL142936D.E.T.BRN 0153320UNII-916E8V4S2VDEA No. 7434NN-DiethyltryptamineOprea1_105894
Database identifiers
- CAS
61-51-8- PubChem CID
- 6090
- DTXSID
DTXSID9052763- ChEMBL
CHEMBL142936- ChEBI
CHEBI:184081- UNII
- 916E8V4S2V
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 201
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Tryptamines
DEA Schedule I Controlled Substance -> Hallucinogenic substances
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Pharmaceuticals -> Listed in ZINC15
Human DrugsPharmaceuticals
Melting Point169–171 °C
Collision Cross Section148.6 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Physicochemical properties
- Melting point
- 85 · 85-88 °C
- Boiling point
- 359.8 · 359.8±25.0 °C(Predicted)
- Density
- 1.04 · 1.040±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 17.23 · 17.23±0.30(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 916 E8V4S2V · 916E8V4S2V
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H336 (100%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
P261, P271, P304+P340, P319, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationDEA schedule I controlled substance
Hazard Classes and CategoriesSTOT SE 3 (100%)
Safety data
- DEA Controlled Substances
- CSCN: 7434CSA SCH: Schedule INARC: No
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals
Additional notes
DefinitionChEBI: N,n-diethyltryptamine is a member of tryptamines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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