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Details

Stereochemistry ACHIRAL
Molecular Formula C21H27N2O3.Cl
Molecular Weight 390.904
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,5-Dibutoxy-4?-methoxy[1,1?-biphenyl]-4-diazonium chloride

SMILES

[Cl-].CCCCOC1=CC([N+]#N)=C(OCCCC)C=C1C2=CC=C(OC)C=C2

InChI

InChIKey=YNTXJPZSNIBITC-UHFFFAOYSA-M
InChI=1S/C21H27N2O3.ClH/c1-4-6-12-25-20-15-19(23-22)21(26-13-7-5-2)14-18(20)16-8-10-17(24-3)11-9-16;/h8-11,14-15H,4-7,12-13H2,1-3H3;1H/q+1;/p-1

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 C21H27N2O3
Molecular Weight 355.4507
Charge 1
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 17:44:21 GMT 2025
Edited
by admin
on Tue Apr 01 17:44:21 GMT 2025
Record UNII
8DX6ZZ6SVF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,5-Dibutoxy-4?-methoxy[1,1?-biphenyl]-4-diazonium chloride
Systematic Name English
[1,1?-Biphenyl]-4-diazonium, 2,5-dibutoxy-4?-methoxy-, chloride
Preferred Name English
[1,1?-Biphenyl]-4-diazonium, 2,5-dibutoxy-4?-methoxy-, chloride (1:1)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
302-978-7
Created by admin on Tue Apr 01 17:44:21 GMT 2025 , Edited by admin on Tue Apr 01 17:44:21 GMT 2025
PRIMARY
FDA UNII
8DX6ZZ6SVF
Created by admin on Tue Apr 01 17:44:21 GMT 2025 , Edited by admin on Tue Apr 01 17:44:21 GMT 2025
PRIMARY
PUBCHEM
44144712
Created by admin on Tue Apr 01 17:44:21 GMT 2025 , Edited by admin on Tue Apr 01 17:44:21 GMT 2025
PRIMARY
CAS
94136-05-7
Created by admin on Tue Apr 01 17:44:21 GMT 2025 , Edited by admin on Tue Apr 01 17:44:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID70240779
Created by admin on Tue Apr 01 17:44:21 GMT 2025 , Edited by admin on Tue Apr 01 17:44:21 GMT 2025
PRIMARY
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