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Details

Stereochemistry ACHIRAL
Molecular Formula C11H14ClN5
Molecular Weight 251.715
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-CHLOROPHENYL)-6,6-DIMETHYL-1,3,5-TRIAZINE-2,4-DIAMINE

SMILES

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

InChI

InChIKey=AXIUXECRTOGILY-UHFFFAOYSA-N
InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16)

HIDE SMILES / InChI

Molecular Formula C11H14ClN5
Molecular Weight 251.715
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 19:42:20 GMT 2025
Edited
by admin
on Tue Apr 01 19:42:20 GMT 2025
Record UNII
47GU3ESV2R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-3080
Preferred Name English
1-(3-CHLOROPHENYL)-6,6-DIMETHYL-1,3,5-TRIAZINE-2,4-DIAMINE
Systematic Name English
1,3,5-TRIAZINE-2,4-DIAMINE, 1-(3-CHLOROPHENYL)-1,6-DIHYDRO-6,6-DIMETHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70158148
Created by admin on Tue Apr 01 19:42:20 GMT 2025 , Edited by admin on Tue Apr 01 19:42:20 GMT 2025
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FDA UNII
47GU3ESV2R
Created by admin on Tue Apr 01 19:42:20 GMT 2025 , Edited by admin on Tue Apr 01 19:42:20 GMT 2025
PRIMARY
NSC
3080
Created by admin on Tue Apr 01 19:42:20 GMT 2025 , Edited by admin on Tue Apr 01 19:42:20 GMT 2025
PRIMARY
PUBCHEM
407233
Created by admin on Tue Apr 01 19:42:20 GMT 2025 , Edited by admin on Tue Apr 01 19:42:20 GMT 2025
PRIMARY
CAS
13351-02-5
Created by admin on Tue Apr 01 19:42:20 GMT 2025 , Edited by admin on Tue Apr 01 19:42:20 GMT 2025
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