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4,5-Dimethoxy-2-Methylaniline

CAT: 0127-OR1011335-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1011335-01Size:250 mg
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CAS Number
41864-45-3
MDL Number
MFCD09253618
Purity
98%
Smiles
COc1cc(C)c(N)cc1OC

Chemical Information

4,5-Dimethoxy-2-methylaniline
CAS Number41864-45-3
PubChem CID266585
IUPAC Name4,5-dimethoxy-2-methylaniline
Molecular FormulaC9H13NO2
Molecular Weight167.20
XLogP1.5
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity140
SMILES
CC1=CC(=C(C=C1N)OC)OC
InChI
InChI=1S/C9H13NO2/c1-6-4-8(11-2)9(12-3)5-7(6)10/h4-5H,10H2,1-3H3
InChIKey
BLAYBVPASDNLJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,5-Dimethoxy-2-methylaniline
CAS: 41864-45-3
CID: 266585
Formula: C9H13NO2
MW: 167.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.20
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass167.094628657
Monoisotopic Mass167.094628657
Topological Polar Surface Area44.5 Ų
Heavy Atom Count12
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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sc-2814354,5-Dimethoxy-2-methylaniline
ZRB753794,5-Dimethoxy-2-methylaniline hydrochloride
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