CAS
94108-71-1 Purity
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94108-71-1 Purity
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![3-[4,5-Dihydro-4-[(2-methoxy-p-tolyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonamide](https://resource.alfa-chemistry.com/structure/94108-81-3.gif)
![1H-Indazolium,3-[2-[4-(diethylamino)phenyl]diazenyl]-1,2-dimethyl-5-nitro-,chloride(1:1)](https://resource.alfa-chemistry.com/structure/94108-85-7.gif)
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6-Amino-1,2-dimethyl-7-[(2-methyl-4-nitrophenyl)azo]-1H-indazolium acetate
CAS
94108-80-2
Catalog Number
ACM94108802
Category
Other Products
Molecular Weight
384.389200 [g/mol]
Molecular Formula
C18H20N6O4
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Specification
Synonyms
EINECS 302-417-6, 6-Amino-1,2-dimethyl-7-((2-methyl-4-nitrophenyl)azo)-1H-indazoliumacetate, 94108-80-2
IUPAC Name
1,2-dimethyl-7-[(2-methyl-4-nitrophenyl)diazenyl]indazol-2-ium-6-amine acetate
InChI Key
LHTLQZWVCLYMPH-UHFFFAOYSA-N
H-Bond Acceptor
7
H-Bond Donor
1
What is the PubChem CID of the compound?
The PubChem CID of the compound is 57356489.
What is the molecular formula of the compound?
The molecular formula of the compound is C18H22N6O4.
What are the synonyms for the compound?
The synonyms for the compound are 6-AMINO-1,2-DIMETHYL-7-[(2-METHYL-4-NITROPHENYL)AZO]-1H-INDAZOLIUM ACETATE.
What is the molecular weight of the compound?
The molecular weight of the compound is 386.4 g/mol.
What is the parent compound of the compound?
The parent compound of the compound is CID 57356490 (1,2-dimethyl-7-[(2-methyl-4-nitrophenyl)diazenyl]-3H-indazol-6-amine).
What are the component compounds of the compound?
The component compounds of the compound are CID 176 (Acetic Acid) and CID 57356490 (1,2-dimethyl-7-[(2-methyl-4-nitrophenyl)diazenyl]-3H-indazol-6-amine).
When was the compound created and modified?
The compound was created on July 12, 2012, and modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1,2-dimethyl-7-[(2-methyl-4-nitrophenyl)diazenyl]-1,3-dihydroindazol-1-ium-6-amine;acetate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C16H18N6O2.C2H4O2/c1-10-8-12(22(23)24)5-7-14(10)18-19-15-13(17)6-4-11-9-20(2)21(3)16(11)15;1-2(3)4/h4-8H,9,17H2,1-3H3;1H3,(H,3,4).
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC1=C(C=CC(=C1)[N+](=O)[O-])N=NC2=C(C=CC3=C2[NH+](N(C3)C)C)N.CC(=O)[O-].
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