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N- (2-Aminophenyl) -N-methylacetamide

CAT: 0926-XAA90229-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-XAA90229-01Size:250 mg
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CAS Number
22902-29-0
MDL Number
MFCD05669701
Smiles
CC (=O) N (C) C1=CC=CC=C1N
Molecular Formula
C9H12N2O
Molecular Weight
164.2 g/mol
Controlled
No

Chemical Information

N-(2-aminophenyl)-N-methylacetamide
CAS Number22902-29-0
PubChem CID4293119
IUPAC NameN-(2-aminophenyl)-N-methylacetamide
Molecular FormulaC9H12N2O
Molecular Weight164.20
XLogP-0.1
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity170
SMILES
CC(=O)N(C)C1=CC=CC=C1N
InChI
InChI=1S/C9H12N2O/c1-7(12)11(2)9-6-4-3-5-8(9)10/h3-6H,10H2,1-2H3
InChIKey
BCDLBZFBGPAGIA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-aminophenyl)-N-methylacetamide
CAS: 22902-29-0
CID: 4293119
Formula: C9H12N2O
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass164.094963011
Monoisotopic Mass164.094963011
Topological Polar Surface Area46.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity170
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