U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H15N5.ClH
Molecular Weight 253.731
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,6-DIAMINO-1,2-DIHYDRO-2,2-DIMETHYL-1-PHENYL-S-TRIAZINE HYDROCHLORIDE

SMILES

Cl.CC1(C)N=C(N)N=C(N)N1C2=CC=CC=C2

InChI

InChIKey=QDPFZWLLUCPLDI-UHFFFAOYSA-N
InChI=1S/C11H15N5.ClH/c1-11(2)15-9(12)14-10(13)16(11)8-6-4-3-5-7-8;/h3-7H,1-2H3,(H4,12,13,14,15);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H15N5
Molecular Weight 217.2703
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 Tue Apr 01 20:18:43 GMT 2025
Edited
by admin
on Tue Apr 01 20:18:43 GMT 2025
Record UNII
E12BZT34SJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-160892
Preferred Name English
4,6-DIAMINO-1,2-DIHYDRO-2,2-DIMETHYL-1-PHENYL-S-TRIAZINE HYDROCHLORIDE
Systematic Name English
1,3,5-TRIAZINE-2,4-DIAMINE, 1,6-DIHYDRO-6,6-DIMETHYL-1-PHENYL-, HYDROCHLORIDE (1:1)
Systematic Name English
S-TRIAZINE, 4,6-DIAMINO-1,2-DIHYDRO-2,2-DIMETHYL-1-PHENYL-, MONOHYDROCHLORIDE
Systematic Name English
1,3,5-TRIAZINE-2,4-DIAMINE, 1,6-DIHYDRO-6,6-DIMETHYL-1-PHENYL-, MONOHYDROCHLORIDE
Common Name English
Code System Code Type Description
FDA UNII
E12BZT34SJ
Created by admin on Tue Apr 01 20:18:43 GMT 2025 , Edited by admin on Tue Apr 01 20:18:43 GMT 2025
PRIMARY
PUBCHEM
102185
Created by admin on Tue Apr 01 20:18:43 GMT 2025 , Edited by admin on Tue Apr 01 20:18:43 GMT 2025
PRIMARY
NSC
160892
Created by admin on Tue Apr 01 20:18:43 GMT 2025 , Edited by admin on Tue Apr 01 20:18:43 GMT 2025
PRIMARY
EPA CompTox
DTXSID30940985
Created by admin on Tue Apr 01 20:18:43 GMT 2025 , Edited by admin on Tue Apr 01 20:18:43 GMT 2025
PRIMARY
CAS
1931-17-5
Created by admin on Tue Apr 01 20:18:43 GMT 2025 , Edited by admin on Tue Apr 01 20:18:43 GMT 2025
PRIMARY
CAS
66695-05-4
Created by admin on Tue Apr 01 20:18:43 GMT 2025 , Edited by admin on Tue Apr 01 20:18:43 GMT 2025
NON-SPECIFIC STOICHIOMETRY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY