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4-Methoxy-2,3,6-trimethylaniline

CAT: 0926-ZKA90738-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-ZKA90738-01Size:50 mg
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CAS Number
274907-38-9
MDL Number
MFCD18824956
Smiles
CC1=CC (=C (C (=C1N) C) C) OC
Molecular Formula
C10H15NO
Molecular Weight
165.23 g/mol
Controlled
No

Chemical Information

4-Methoxy-2,3,6-trimethylaniline
CAS Number274907-38-9
PubChem CID21961307
IUPAC Name4-methoxy-2,3,6-trimethylaniline
Molecular FormulaC10H15NO
Molecular Weight165.23
XLogP2.3
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity149
SMILES
CC1=CC(=C(C(=C1N)C)C)OC
InChI
InChI=1S/C10H15NO/c1-6-5-9(12-4)7(2)8(3)10(6)11/h5H,11H2,1-4H3
InChIKey
ZWFQMPDJHVVIGB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxy-2,3,6-trimethylaniline
CAS: 274907-38-9
CID: 21961307
Formula: C10H15NO
MW: 165.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight165.23
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass165.115364102
Monoisotopic Mass165.115364102
Topological Polar Surface Area35.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity149
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