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2-Phenylmorpholine hydrochloride

CAT: 0127-OR12786-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR12786-01Size:1 g
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CAS Number
23972-42-1
Synonyms
(Morpholin-2-yl) benzene hydrochloride
MDL Number
MFCD03869024
Purity
98%
Smiles
Cl.C1COC(CN1)c2ccccc2

Chemical Information

2-Phenylmorpholine hydrochloride
CAS Number23972-42-1
PubChem CID12343539
IUPAC Name2-phenylmorpholine;hydrochloride
Molecular FormulaC10H14ClNO
Molecular Weight199.68
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity132
SMILES
C1COC(CN1)C2=CC=CC=C2.Cl
InChI
InChI=1S/C10H13NO.ClH/c1-2-4-9(5-3-1)10-8-11-6-7-12-10;/h1-5,10-11H,6-8H2;1H
InChIKey
LJKUJBAIFSUTNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenylmorpholine hydrochloride
CAS: 23972-42-1
CID: 12343539
Formula: C10H14ClNO
MW: 199.68
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.68
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass199.0763918
Monoisotopic Mass199.0763918
Topological Polar Surface Area21.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity132
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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