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Details

Stereochemistry ACHIRAL
Molecular Formula C13H15N3
Molecular Weight 213.2783
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-AMINOBUTYL)-5-CYANOINDOLE

SMILES

NCCCCC1=CNC2=C1C=C(C=C2)C#N

InChI

InChIKey=SEVLXUBQTKDVRL-UHFFFAOYSA-N
InChI=1S/C13H15N3/c14-6-2-1-3-11-9-16-13-5-4-10(8-15)7-12(11)13/h4-5,7,9,16H,1-3,6,14H2

HIDE SMILES / InChI

Molecular Formula C13H15N3
Molecular Weight 213.2783
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:56:52 GMT 2023
Edited
by admin
on Sat Dec 16 18:56:52 GMT 2023
Record UNII
2PTT8U3TU5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-AMINOBUTYL)-5-CYANOINDOLE
Systematic Name English
3-(4-AMINOBUTYL)-1H-INDOLE-5-CARBONITRILE
Systematic Name English
1H-INDOLE-5-CARBONITRILE, 3-(4-AMINOBUTYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
2PTT8U3TU5
Created by admin on Sat Dec 16 18:56:52 GMT 2023 , Edited by admin on Sat Dec 16 18:56:52 GMT 2023
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CAS
143612-85-5
Created by admin on Sat Dec 16 18:56:52 GMT 2023 , Edited by admin on Sat Dec 16 18:56:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID30467723
Created by admin on Sat Dec 16 18:56:52 GMT 2023 , Edited by admin on Sat Dec 16 18:56:52 GMT 2023
PRIMARY
PUBCHEM
11506753
Created by admin on Sat Dec 16 18:56:52 GMT 2023 , Edited by admin on Sat Dec 16 18:56:52 GMT 2023
PRIMARY