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N- (4-Aminophenyl) acrylamide

CAT: 0127-OR1066592-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1066592-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7530-31-6
MDL Number
MFCD18294270
Purity
97% (stabilized with TBC)
Smiles
C=CC(NC1=CC=C(N)C=C1)=O

Chemical Information

N-(4-Aminophenyl)prop-2-enamide
CAS Number7530-31-6
PubChem CID22496099
IUPAC NameN-(4-aminophenyl)prop-2-enamide
Molecular FormulaC9H10N2O
Molecular Weight162.19
XLogP0.7
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity171
SMILES
C=CC(=O)NC1=CC=C(C=C1)N
InChI
InChI=1S/C9H10N2O/c1-2-9(12)11-8-5-3-7(10)4-6-8/h2-6H,1,10H2,(H,11,12)
InChIKey
WNVPACYPJUPHON-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-Aminophenyl)prop-2-enamide
CAS: 7530-31-6
CID: 22496099
Formula: C9H10N2O
MW: 162.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight162.19
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass162.079312947
Monoisotopic Mass162.079312947
Topological Polar Surface Area55.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity171
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