(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

Technical Data

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:	38.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0