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4-Methoxy-2,5-dimethylaniline

CAT: 0127-OR77449-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR77449-01Size:100 mg
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CAS Number
117174-70-6
MDL Number
MFCD14537874
Purity
95%
Smiles
NC1=CC(C)=C(OC)C=C1C

Chemical Information

4-Methoxy-2,5-dimethylaniline
CAS Number117174-70-6
PubChem CID22506864
IUPAC Name4-methoxy-2,5-dimethylaniline
Molecular FormulaC9H13NO
Molecular Weight151.21
XLogP1.9
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity127
SMILES
CC1=CC(=C(C=C1OC)C)N
InChI
InChI=1S/C9H13NO/c1-6-5-9(11-3)7(2)4-8(6)10/h4-5H,10H2,1-3H3
InChIKey
ZCKVENPXPQNFSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxy-2,5-dimethylaniline
CAS: 117174-70-6
CID: 22506864
Formula: C9H13NO
MW: 151.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.21
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass151.099714038
Monoisotopic Mass151.099714038
Topological Polar Surface Area35.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity127
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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