(5S)-5-Phenylmorpholin-2-one Hydrochloride - CAS 491833-36-4
Catalog: |
BB058211 |
Product Name: |
(5S)-5-Phenylmorpholin-2-one Hydrochloride |
CAS: |
491833-36-4 |
Synonyms: |
(5S)-5-Phenyl-2-morpholinone Hydrochloride; (S)-5-Phenylmorpholin-2-one Hydrochloride |
IUPAC Name: | (5S)-5-phenylmorpholin-2-onehydrochloride |
Description: | (5S)-5-Phenylmorpholin-2-one Hydrochloride is a building block used in various synthetic preparations. It was used as a reactant in the preparation of enantiopure D-amino acids using Mannich-type reaction of phenylmorpholinone as a chiral amine template. |
Molecular Weight: | 177.20 + (36.46) |
Molecular Formula: | C10H11NO2·(HCl) |
Canonical SMILES: | C1C(NCC(=O)O1)C2=CC=CC=C2.Cl |
InChI: | InChI=1S/C10H11NO2.ClH/c12-10-6-11-9(7-13-10)8-4-2-1-3-5-8/h1-5,9,11H,6-7H21H/t9-/m1./s1 |
InChI Key: | QAUUHFOYPUBYQU-SBSPUUFOSA-N |
References: | Currie, G., et al. Perkin 1, 2982 (2000). |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.0556563 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.0556563 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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