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4-Amino-2-methylacetophenone

CAT: 0127-OR345331Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR345331Size:1 Each
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CAS Number
38177-98-9
MDL Number
MFCD11044833
Purity
=95%
Smiles
CC(=O)c1ccc(N)cc1C

Chemical Information

1-(4-Amino-2-methylphenyl)ethanone
CAS Number38177-98-9
PubChem CID14202260
IUPAC Name1-(4-amino-2-methylphenyl)ethanone
Molecular FormulaC9H11NO
Molecular Weight149.19
XLogP1.3
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity156
SMILES
CC1=C(C=CC(=C1)N)C(=O)C
InChI
InChI=1S/C9H11NO/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5H,10H2,1-2H3
InChIKey
RUHKTMSHDAAPRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Amino-2-methylphenyl)ethanone
CAS: 38177-98-9
CID: 14202260
Formula: C9H11NO
MW: 149.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.19
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass149.084063974
Monoisotopic Mass149.084063974
Topological Polar Surface Area43.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity156
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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