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Details

Stereochemistry ACHIRAL
Molecular Formula C25H27ClN2
Molecular Weight 390.948
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of BASIC BLUE 5 FREE BASE

SMILES

CCNC1=C(C)C=C(C=C1)C(=C2/C=C\C(=N/CC)C(C)=C2)\C3=CC=CC=C3Cl

InChI

InChIKey=TVKGDNHBYVWSOH-ZXAFPQHASA-N
InChI=1S/C25H27ClN2/c1-5-27-23-13-11-19(15-17(23)3)25(21-9-7-8-10-22(21)26)20-12-14-24(28-6-2)18(4)16-20/h7-16,27H,5-6H2,1-4H3/b25-20-,28-24+

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
BASIC BLUE 5 FREE BASE
Common Name English
4-((2-CHLOROPHENYL)(4-(ETHYLIMINO)-3-METHYL-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYL)-N-ETHYL-2-METHYLBENZENAMINE
Systematic Name English
C.I. BASIC BLUE 5 FREE BASE
Common Name English
BENZENAMINE, 4-((2-CHLOROPHENYL)(4-(ETHYLIMINO)-3-METHYL-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYL)-N-ETHYL-2-METHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
V29GP5EY5X
Created by admin on Sat Dec 16 10:26:25 GMT 2023 , Edited by admin on Sat Dec 16 10:26:25 GMT 2023
PRIMARY
ECHA (EC/EINECS)
607-795-9
Created by admin on Sat Dec 16 10:26:25 GMT 2023 , Edited by admin on Sat Dec 16 10:26:25 GMT 2023
PRIMARY https://echa.europa.eu/substance-information/-/substanceinfo/100.114.655
CAS
25739-71-3
Created by admin on Sat Dec 16 10:26:25 GMT 2023 , Edited by admin on Sat Dec 16 10:26:25 GMT 2023
PRIMARY
SALT/SOLVATE (PARENT)
Structure of BASIC BLUE 5 HYDROCHLORIDE
NIH
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