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Reference substances

Reference substances

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General information

Inventory

EC number:
269-943-5
EC name:
3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride
CAS number:
68391-31-1

No inventory information available

Reference substance information

IUPAC name:
N,N,N-trimethyl-3-[(E)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazen-1-yl]anilinium chloride
Synonyms
Names:
Benzenaminium, 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethyl-, chloride
Identifier:
CAS number
68391-31-1
Identifier:
IUPAC name
N,N,N-trimethyl-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-benzenaminium chloride
Identifier:
common name
C.I. Basic Yellow 57
Identifier:
other: Molecular formula
C19H22N5O.Cl
Identifier:
other: InChl
InChI=1/C19H22N5O.ClH/c1-14-18(19(25)23(22-14)16-10-6-5-7-11-16)21-20-15-9-8-12-17(13-15)24(2,3)4;/h5-13,18H,1-4H3;1H/q+1;/p-1
Identifier:
other: SMILES notation
[Cl-].C[N+](C)(C)c1cccc(c1)N=NC3C(\C)=N/N(c2ccccc2)C3=O
N,N,N-trimethyl-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]anilinium chloride

CAS information

CAS number:
68391-31-1

Molecular and structural information

Molecular formula:
C19H22ClN5O
Molecular weight:
371.869
SMILES notation:
[Cl-].CC1=NN(c2ccccc2)C(=O)C1N=Nc3cccc(c3)[N+](C)(C)C
InChl:
1S/C19H22N5O.ClH/c11418(19(25)23(2214)16106571116)212015981217(1315)24(2,3)4;/h513,18H,14H3;1H/q+1;/p1/b2120+;
Structural formula:
Chemical structure