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4- (4-Aminophenyl) morpholin-3-one

CAT: 0127-OR95447-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR95447-01Size:25 g
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CAS Number
438056-69-0
MDL Number
MFCD08236742
Purity
99%
Smiles
O=C(COCC1)N1C(C=C2)=CC=C2N

Chemical Information

4-(4-Aminophenyl)morpholin-3-one
CAS Number438056-69-0
PubChem CID11194854
IUPAC Name4-(4-aminophenyl)morpholin-3-one
Molecular FormulaC10H12N2O2
Molecular Weight192.21
XLogP0.3
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity212
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)N
InChI
InChI=1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7,11H2
InChIKey
MHCRLDZZHOVFEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Aminophenyl)morpholin-3-one
CAS: 438056-69-0
CID: 11194854
Formula: C10H12N2O2
MW: 192.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight192.21
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass192.089877630
Monoisotopic Mass192.089877630
Topological Polar Surface Area55.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity212
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