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2,4,6-Trimethoxyaniline

CAT: 1299-RG-T180984-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-T180984-01Size:10 mg
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CAS Number
14227-17-9
Synonyms
2,4,6-trimethoxyaniline
Molecular Formula
C9H13NO3
Molecular Weight
183.2
Target Alternative Name
Benzoic Acid
Product Name Synonym
2,4,6-trimethoxyaniline

Chemical Information

2,4,6-Trimethoxyaniline
CAS Number14227-17-9
PubChem CID84271
IUPAC Name2,4,6-trimethoxyaniline
Molecular FormulaC9H13NO3
Molecular Weight183.20
XLogP1.2
Topological Polar Surface Area53.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity140
SMILES
COC1=CC(=C(C(=C1)OC)N)OC
InChI
InChI=1S/C9H13NO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,10H2,1-3H3
InChIKey
FNSAKXLEFPFZOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,6-Trimethoxyaniline
CAS: 14227-17-9
CID: 84271
Formula: C9H13NO3
MW: 183.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight183.20
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass183.08954328
Monoisotopic Mass183.08954328
Topological Polar Surface Area53.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity140
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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OR3630-012,4,6-Trimethoxyaniline
FT172346-012,4,6-Trimethoxyaniline hydrochloride
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