Dl-Methylephedrine Hydrochloride

Synopsis, Chemistry

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Also known as: (1-hydroxy-1-phenylpropan-2-yl)-dimethylazanium;chloride, Akos015891296

Molecular Formula

C₁₁H₁₈ClNO

Molecular Weight

215.72 g/mol

InChI Key

NTCYWJCEOILKNG-UHFFFAOYSA-N

1 2D Structure

Dl-Methylephedrine Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1-hydroxy-1-phenylpropan-2-yl)-dimethylazanium;chloride

2.1.2 InChI

InChI=1S/C11H17NO.ClH/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;/h4-9,11,13H,1-3H3;1H

2.1.3 InChI Key

NTCYWJCEOILKNG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C(C1=CC=CC=C1)O)[NH+](C)C.[Cl-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. (1-hydroxy-1-phenylpropan-2-yl)-dimethylazanium;chloride

2. Akos015891296

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₈ClNO
Molecular Weight	215.72 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	215.1076919 g/mol
Monoisotopic Mass	215.1076919 g/mol
Topological Polar Surface Area	24.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	141
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2