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

Details

Stereochemistry RACEMIC
Molecular Formula C11H17N3O4.ClH
Molecular Weight 291.731
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HC BLUE NO. 6

SMILES

Cl.CNC1=CC=C(C=C1[N+]([O-])=O)N(C)CC(O)CO

InChI

InChIKey=XSUKBLJKLXZDPN-UHFFFAOYSA-N
InChI=1S/C11H17N3O4.ClH/c1-12-10-4-3-8(5-11(10)14(17)18)13(2)6-9(16)7-15;/h3-5,9,12,15-16H,6-7H2,1-2H3;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 C11H17N3O4
Molecular Weight 255.2704
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:08:30 GMT 2025
Edited
by admin
on Mon Mar 31 21:08:30 GMT 2025
Record UNII
N9Q9Y5I9F4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IMEXINE FAE
Preferred Name English
HC BLUE NO. 6
INCI  
INCI  
Official Name English
HC BLUE #6
Common Name English
(±)-HC BLUE NO. 6
Common Name English
1- METHYLAMINO- 2- NITRO- 4- (METHYL- 2, 3- DIHYDROXYPROPYL) AMINOBENZENE HYDROCHLORIDE
Systematic Name English
1,2-PROPANEDIOL, 3-(METHYL(4-(METHYLAMINO)-3-NITROPHENYL)AMINO)-, HYDROCHLORIDE (1:1)
Systematic Name English
1,2-PROPANEDIOL, 3-(METHYL(4-(METHYLAMINO)-3-NITROPHENYL)AMINO)-, MONOHYDROCHLORIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90892451
Created by admin on Mon Mar 31 21:08:30 GMT 2025 , Edited by admin on Mon Mar 31 21:08:30 GMT 2025
PRIMARY
CAS
93633-78-4
Created by admin on Mon Mar 31 21:08:30 GMT 2025 , Edited by admin on Mon Mar 31 21:08:30 GMT 2025
PRIMARY
FDA UNII
N9Q9Y5I9F4
Created by admin on Mon Mar 31 21:08:30 GMT 2025 , Edited by admin on Mon Mar 31 21:08:30 GMT 2025
PRIMARY
PUBCHEM
5463774
Created by admin on Mon Mar 31 21:08:30 GMT 2025 , Edited by admin on Mon Mar 31 21:08:30 GMT 2025
PRIMARY