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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H16N2
Molecular Weight 188.2688
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETRYPTAMINE, (S)-

SMILES

CC[C@H](N)CC1=CNC2=C1C=CC=C2

InChI

InChIKey=ZXUMUPVQYAFTLF-JTQLQIEISA-N
InChI=1S/C12H16N2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H16N2
Molecular Weight 188.2688
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:14:37 GMT 2025
Edited
by admin
on Mon Mar 31 23:14:37 GMT 2025
Record UNII
RH40Q45CQD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETRYPTAMINE, (S)-
Common Name English
1H-INDOLE-3-ETHANAMINE, .ALPHA.-ETHYL-, (.ALPHA.S)-
Preferred Name English
Code System Code Type Description
FDA UNII
RH40Q45CQD
Created by admin on Mon Mar 31 23:14:37 GMT 2025 , Edited by admin on Mon Mar 31 23:14:37 GMT 2025
PRIMARY
CAS
29854-47-5
Created by admin on Mon Mar 31 23:14:37 GMT 2025 , Edited by admin on Mon Mar 31 23:14:37 GMT 2025
PRIMARY
PUBCHEM
728634
Created by admin on Mon Mar 31 23:14:37 GMT 2025 , Edited by admin on Mon Mar 31 23:14:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID501295316
Created by admin on Mon Mar 31 23:14:37 GMT 2025 , Edited by admin on Mon Mar 31 23:14:37 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER