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2,4,5-Trimethoxy-3-methylaniline

CAT: 0926-CGA53176-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-CGA53176-01Size:50 mg
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CAS Number
152531-76-5
MDL Number
MFCD20694611
Smiles
CC1=C (C (=CC (=C1OC) OC) N) OC
Molecular Formula
C10H15NO3
Molecular Weight
197.23 g/mol
Controlled
No

Chemical Information

2,4,5-Trimethoxy-3-methylaniline
CAS Number152531-76-5
PubChem CID23250125
IUPAC Name2,4,5-trimethoxy-3-methylaniline
Molecular FormulaC10H15NO3
Molecular Weight197.23
XLogP1.5
Topological Polar Surface Area53.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity177
SMILES
CC1=C(C(=CC(=C1OC)OC)N)OC
InChI
InChI=1S/C10H15NO3/c1-6-9(13-3)7(11)5-8(12-2)10(6)14-4/h5H,11H2,1-4H3
InChIKey
RMKTWEGESQSYBS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,5-Trimethoxy-3-methylaniline
CAS: 152531-76-5
CID: 23250125
Formula: C10H15NO3
MW: 197.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.23
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass197.10519334
Monoisotopic Mass197.10519334
Topological Polar Surface Area53.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity177
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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CatalogName
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