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22204-89-3 molecular structure
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3-[2-(diethylamino)ethyl]-1H-indol-4-ol

ChemBase ID: 170467
Molecular Formular: C14H20N2O
Molecular Mass: 232.3214
Monoisotopic Mass: 232.15756327
SMILES and InChIs

SMILES:
c1ccc2c(c1O)c(c[nH]2)CCN(CC)CC
Canonical SMILES:
CCN(CCc1c[nH]c2c1c(O)ccc2)CC
InChI:
InChI=1S/C14H20N2O/c1-3-16(4-2)9-8-11-10-15-12-6-5-7-13(17)14(11)12/h5-7,10,15,17H,3-4,8-9H2,1-2H3
InChIKey:
OHHYMKDBKJPILO-UHFFFAOYSA-N

Cite this record

CBID:170467 http://www.chembase.cn/molecule-170467.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[2-(diethylamino)ethyl]-1H-indol-4-ol
IUPAC Traditional name
4-HO-det
Synonyms
3-(2-Diethylaminoethyl)indol-4-ol
4-Hydroxy-N,N-diethyltryptamine
CZ 74
3-[2-(Diethylamino)ethyl]-1H-indol-4-ol
4-HO-DET
4-Hydroxy-N,N-diethyltryptamine
CAS Number
22204-89-3
PubChem SID
164226377
PubChem CID
9991554

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC H941250 external link Add to cart
PubChem 9991554 external link
Data Source Data ID Price
TRC
H941250 external link Add to cart Please log in.
Data Source Data ID
PubChem 9991554 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.064444  H Acceptors
H Donor LogD (pH = 5.5) -0.7420638 
LogD (pH = 7.4) 0.20774333  Log P 1.6143886 
Molar Refractivity 71.9203 cm3 Polarizability 28.694574 Å3
Polar Surface Area 39.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - H941250 external link
4-Hydroxy-N,N-diethyltryptamine (4-HO-DET) is a hallucinogenic tryptamine of moderate duration; a psychedelic compound.

REFERENCES

REFERENCES

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  • • Cerletti, A. et al.: Adv. Pharmacol., 6, 233 (1968)
  • • McKenna, D.J. et al.: Neuropharmacology, 29, 193 (1968)
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PATENTS

PATENTS

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INTERNET

INTERNET

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