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2''-Aminoacetophenone

CAT: 0862-GK7080-25gSize: 25 gDry Ice: NoHazardous: No
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CAT#:0862-GK7080-25gSize:25 g
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CAS Number
551-93-9
EC Number
209-002-8
MDL Number
MFCD00007717
HS Code
29223900
Purity
97.50%
Molecular Formula
C8H9NO
Molecular Weight
135.17
Storage Conditions
+4°C
Hazardous Class
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Chemical Information

2'-Aminoacetophenone

O-aminoacetophenone is an aromatic ketone that is acetophenone in which one of the ortho hydrogens of the phenyl group has been replaced by an amino group. It has a role as a bacterial metabolite. It is a member of acetophenones and a substituted aniline.

CAS Number551-93-9
PubChem CID11086
IUPAC Name1-(2-aminophenyl)ethanone
Molecular FormulaC8H9NO
Molecular Weight135.16
XLogP1.6
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity133
SMILES
CC(=O)C1=CC=CC=C1N
InChI
InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
InChIKey
GTDQGKWDWVUKTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2'-Aminoacetophenone
CAS: 551-93-9
CID: 11086
Formula: C8H9NO
MW: 135.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight135.16
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass135.068413911
Monoisotopic Mass135.068413911
Topological Polar Surface Area43.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity133
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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