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3-Methoxy-5-methylaniline

CAT: 0127-OR400868Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
66584-31-4
MDL Number
MFCD11036303
Purity
95%
Smiles
COc1cc(C)cc(N)c1

Chemical Information

Methoxymethylbenzenamine
CAS Number66584-31-4
PubChem CID44533
IUPAC Name3-methoxy-5-methylaniline
Molecular FormulaC8H11NO
Molecular Weight137.18
XLogP1.6
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity105
SMILES
CC1=CC(=CC(=C1)OC)N
InChI
InChI=1S/C8H11NO/c1-6-3-7(9)5-8(4-6)10-2/h3-5H,9H2,1-2H3
InChIKey
SIYIMMXOEYEZHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methoxymethylbenzenamine
CAS: 66584-31-4
CID: 44533
Formula: C8H11NO
MW: 137.18
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.18
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass137.084063974
Monoisotopic Mass137.084063974
Topological Polar Surface Area35.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity105
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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1606303-Methoxy-5-methylaniline
1606313-Methoxy-5-methylaniline-d3
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S-24152-Methoxy-5-methylaniline
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