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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N2
Molecular Weight 188.2688
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2,4-TRIMETHYL-2,5-DIHYDRO-1H-1,5-BENZODIAZEPINE

SMILES

CC1=CC(C)(C)NC2=C(N1)C=CC=C2

InChI

InChIKey=WTUNMSITZSIXDG-UHFFFAOYSA-N
InChI=1S/C12H16N2/c1-9-8-12(2,3)14-11-7-5-4-6-10(11)13-9/h4-8,13-14H,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H16N2
Molecular Weight 188.2688
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 12:56:08 GMT 2023
Edited
by admin
on Sat Dec 16 12:56:08 GMT 2023
Record UNII
ERE5AA943O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2,4-TRIMETHYL-2,5-DIHYDRO-1H-1,5-BENZODIAZEPINE
Systematic Name English
5,7,7-TRIMETHYL-2,3-BENZO-1,4-DIAZACYCLOHEPTA-2,5-DIEN
Systematic Name English
1H-1,5-BENZODIAZEPINE, 2,5-DIHYDRO-2,2,4-TRIMETHYL-
Systematic Name English
NSC-96632
Code English
2,5-DIHYDRO-2,2,4-TRIMETHYL-1H-1,5-BENZODIAZEPINE
Systematic Name English
5,7,7-TRIMETHYL-2,3-BENZO-1,4-DIAZACYCLOHEPTA-2,5-DIENE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30188683
Created by admin on Sat Dec 16 12:56:08 GMT 2023 , Edited by admin on Sat Dec 16 12:56:08 GMT 2023
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FDA UNII
ERE5AA943O
Created by admin on Sat Dec 16 12:56:08 GMT 2023 , Edited by admin on Sat Dec 16 12:56:08 GMT 2023
PRIMARY
CAS
35190-57-9
Created by admin on Sat Dec 16 12:56:08 GMT 2023 , Edited by admin on Sat Dec 16 12:56:08 GMT 2023
PRIMARY
NSC
96632
Created by admin on Sat Dec 16 12:56:08 GMT 2023 , Edited by admin on Sat Dec 16 12:56:08 GMT 2023
PRIMARY
PUBCHEM
262709
Created by admin on Sat Dec 16 12:56:08 GMT 2023 , Edited by admin on Sat Dec 16 12:56:08 GMT 2023
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