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α- (4-morpholino) phenylacetonitrile

CAT: 0013-GTR19252193-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19252193-01Size:100 mg
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Description
α- (4-morpholino) phenylacetonitrile
CAS Number
15190-10-0
Smiles
Cl.N#CC (N1CCOCC1) C1=CC=CC=C1
Molecular Formula
C12H14N2O
Molecular Weight
202.2524
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Morpholino(phenyl)acetonitrile
CAS Number15190-10-0
PubChem CID85812
IUPAC Name2-morpholin-4-yl-2-phenylacetonitrile
Molecular FormulaC12H14N2O
Molecular Weight202.25
XLogP1.4
Topological Polar Surface Area36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity233
SMILES
C1COCCN1C(C#N)C2=CC=CC=C2
InChI
InChI=1S/C12H14N2O/c13-10-12(11-4-2-1-3-5-11)14-6-8-15-9-7-14/h1-5,12H,6-9H2
InChIKey
MWZPYQLYZXTCLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Morpholino(phenyl)acetonitrile
CAS: 15190-10-0
CID: 85812
Formula: C12H14N2O
MW: 202.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.25
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass202.110613074
Monoisotopic Mass202.110613074
Topological Polar Surface Area36.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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