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Details

Stereochemistry ACHIRAL
Molecular Formula C15H17N5O2
Molecular Weight 299.3278
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-(P-AMINOBENZYL)-CAFFEINE

SMILES

CN1C(CC2=CC=C(N)C=C2)=NC3=C1C(=O)N(C)C(=O)N3C

InChI

InChIKey=OSKJFYYILYDPAQ-UHFFFAOYSA-N
InChI=1S/C15H17N5O2/c1-18-11(8-9-4-6-10(16)7-5-9)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8,16H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C15H17N5O2
Molecular Weight 299.3278
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 12:42:05 GMT 2023
Edited
by admin
on Sat Dec 16 12:42:05 GMT 2023
Record UNII
TRI71JU8B6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-(P-AMINOBENZYL)-CAFFEINE
Systematic Name English
CAFFEINE, 8-(P-AMINOBENZYL)-
Common Name English
NSC-14398
Code English
8-((4-AMINOPHENYL)METHYL)-3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE
Systematic Name English
1H-PURINE-2,6-DIONE, 8-((4-AMINOPHENYL)METHYL)-3,7-DIHYDRO-1,3,7-TRIMETHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
21552
Created by admin on Sat Dec 16 12:42:05 GMT 2023 , Edited by admin on Sat Dec 16 12:42:05 GMT 2023
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NSC
14398
Created by admin on Sat Dec 16 12:42:05 GMT 2023 , Edited by admin on Sat Dec 16 12:42:05 GMT 2023
PRIMARY
FDA UNII
TRI71JU8B6
Created by admin on Sat Dec 16 12:42:05 GMT 2023 , Edited by admin on Sat Dec 16 12:42:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID10202619
Created by admin on Sat Dec 16 12:42:05 GMT 2023 , Edited by admin on Sat Dec 16 12:42:05 GMT 2023
PRIMARY
CAS
5426-89-1
Created by admin on Sat Dec 16 12:42:05 GMT 2023 , Edited by admin on Sat Dec 16 12:42:05 GMT 2023
PRIMARY