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CAS 491833-36-4

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Also known as: 491833-36-4, (5s)-5-phenylmorpholin-2-one hydrochloride, (5s)-5-phenylmorpholin-2-one hcl, (5s)-5-phenylmorpholin-2-one;hydrochloride, Schembl736275, (5s)-5-phenyl-2-morpholinone hcl

Molecular Formula

C₁₀H₁₂ClNO₂

Molecular Weight

213.66 g/mol

InChI Key

QAUUHFOYPUBYQU-SBSPUUFOSA-N

CAS 491833-36-4

1 2D Structure

CAS 491833-36-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5S)-5-phenylmorpholin-2-one;hydrochloride

2.1.2 InChI

InChI=1S/C10H11NO2.ClH/c12-10-6-11-9(7-13-10)8-4-2-1-3-5-8;/h1-5,9,11H,6-7H2;1H/t9-;/m1./s1

2.1.3 InChI Key

QAUUHFOYPUBYQU-SBSPUUFOSA-N

2.1.4 Canonical SMILES

C1C(NCC(=O)O1)C2=CC=CC=C2.Cl

2.1.5 Isomeric SMILES

C1[C@@H](NCC(=O)O1)C2=CC=CC=C2.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 491833-36-4

2. (5s)-5-phenylmorpholin-2-one Hydrochloride

3. (5s)-5-phenylmorpholin-2-one Hcl

4. (5s)-5-phenylmorpholin-2-one;hydrochloride

5. Schembl736275

6. (5s)-5-phenyl-2-morpholinone Hcl

7. Mfcd27920765

8. Akos022185929

9. Ds-7626

10. (5s)-5-phenylmorpholin-2-one Hcl Salt

11. (s)-5-phenylmorpholin-2-onehydrochloride

12. Cs-0016548

13. P17213

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂ClNO₂
Molecular Weight	213.66 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	213.0556563 g/mol
Monoisotopic Mass	213.0556563 g/mol
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	187
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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