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Methyl Red

CAT: 1489-M8270-03Size: 500 gDry Ice: NoHazardous: No
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CAT#:1489-M8270-03Size:500 g
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CAS Number
493-52-7
Purity
Ind Grade

Chemical Information

2-((4-(Dimethylamino)phenyl)diazenyl)benzoic acid

Methyl red is an azo dye consisting of benzoic acid substituted at position 2 by a 4-[(dimethylamino)phenyl]diazenyl group. It has a role as a dye. It is a member of azobenzenes, a monocarboxylic acid and a tertiary amino compound. It is a conjugate acid of a methyl red(1-).

CAS Number493-52-7
PubChem CID10303
IUPAC Name2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid
Molecular FormulaC15H15N3O2
Molecular Weight269.30
XLogP3.3
Topological Polar Surface Area65.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity349
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)
InChIKey
CEQFOVLGLXCDCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((4-(Dimethylamino)phenyl)diazenyl)benzoic acid
CAS: 493-52-7
CID: 10303
Formula: C15H15N3O2
MW: 269.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.30
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass269.116426730
Monoisotopic Mass269.116426730
Topological Polar Surface Area65.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity349
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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