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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13N5O.ClH
Molecular Weight 279.725
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-[2-(4-methoxyphenyl)diazen-1-yl]pyridine-2,6-diamine hydrochloride

SMILES

Cl.COC1=CC=C(C=C1)\N=N\C2=C(N)N=C(N)C=C2

InChI

InChIKey=GGUMLCXZZFPUHA-CMBBICFISA-N
InChI=1S/C12H13N5O.ClH/c1-18-9-4-2-8(3-5-9)16-17-10-6-7-11(13)15-12(10)14;/h2-7H,1H3,(H4,13,14,15);1H/b17-16+;

HIDE SMILES / InChI

Molecular Formula C12H13N5O
Molecular Weight 243.2645
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:54:59 GMT 2023
Edited
by admin
on Sat Dec 16 18:54:59 GMT 2023
Record UNII
B53ZZ832E8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[2-(4-methoxyphenyl)diazen-1-yl]pyridine-2,6-diamine hydrochloride
Systematic Name English
2,6-Pyridinediamine, 3-[2-(4-methoxyphenyl)diazenyl]-, hydrochloride (1:1)
Systematic Name English
2,6-Pyridinediamine, 3-[(4-methoxyphenyl)azo]-, monohydrochloride
Systematic Name English
2,6-Pyridinediamine, 3-[(1E)-2-(4-methoxyphenyl)diazenyl]-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
CAS
1087706-10-2
Created by admin on Sat Dec 16 18:54:59 GMT 2023 , Edited by admin on Sat Dec 16 18:54:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID7070395
Created by admin on Sat Dec 16 18:54:59 GMT 2023 , Edited by admin on Sat Dec 16 18:54:59 GMT 2023
PRIMARY
CAS
66104-36-7
Created by admin on Sat Dec 16 18:54:59 GMT 2023 , Edited by admin on Sat Dec 16 18:54:59 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
B53ZZ832E8
Created by admin on Sat Dec 16 18:54:59 GMT 2023 , Edited by admin on Sat Dec 16 18:54:59 GMT 2023
PRIMARY
ECHA (EC/EINECS)
266-144-3
Created by admin on Sat Dec 16 18:54:59 GMT 2023 , Edited by admin on Sat Dec 16 18:54:59 GMT 2023
PRIMARY