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2- (4-Aminophenyl) -N-methylacetamide

CAT: 0926-HBA63762-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-HBA63762-01Size:0.5 g
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CAS Number
32637-62-0
MDL Number
MFCD09047809
Smiles
CNC (=O) CC1=CC=C (C=C1) N
Molecular Formula
C9H12N2O
Molecular Weight
164.2 g/mol
Controlled
No

Chemical Information

2-(4-aminophenyl)-N-methylacetamide
CAS Number32637-62-0
PubChem CID16775376
IUPAC Name2-(4-aminophenyl)-N-methylacetamide
Molecular FormulaC9H12N2O
Molecular Weight164.20
XLogP0.5
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
CNC(=O)CC1=CC=C(C=C1)N
InChI
InChI=1S/C9H12N2O/c1-11-9(12)6-7-2-4-8(10)5-3-7/h2-5H,6,10H2,1H3,(H,11,12)
InChIKey
LDGLZUCCUIXNGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-aminophenyl)-N-methylacetamide
CAS: 32637-62-0
CID: 16775376
Formula: C9H12N2O
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass164.094963011
Monoisotopic Mass164.094963011
Topological Polar Surface Area55.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity151
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