(R,R)-(±)-N,N-Diethyl Norephedrine Hydrochloride - CAS 58917-77-4

Catalog:	BB067854
Product Name:	(R,R)-(±)-N,N-Diethyl Norephedrine Hydrochloride
CAS:	58917-77-4
Synonyms:	(R,R)-α-[1-(Diethylamino)ethyl]benzenemethanol Hydrochloride; (R,R)-(±)-α-[1-(Diethylamino)ethyl]benzenemethanol Hydrochloride

Technical Data

IUPAC Name:	(1S,2S)-2-(diethylamino)-1-phenylpropan-1-olhydrochloride
Description:	(R,R)-(±)-N,N-Diethyl Norephedrine Hydrochloride is the salt analogue of rac-syn N,N-Diethyl Norephedrine (D444670), the main basic metabolite of Diethylpropione.
Molecular Weight:	243.77
Molecular Formula:	C13H22ClNO
Canonical SMILES:	CCN(CC)C(C)C(C1=CC=CC=C1)O.Cl
InChI:	InChI=1S/C13H21NO.ClH/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11,13,15H,4-5H2,1-3H31H/t11-,13+/m0./s1
InChI Key:	KOCKBNBCNQXAJH-STEACBGWSA-N
References:	Banci, F., et al. Arzneim.-Forsch., 21, 1616 (1971); Mikhailova, D., et al. Eur. J. Med. Chem., 13, 49 (1978).

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	243.138992
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	243.138992
Rotatable Bond Count:	5
Topological Polar Surface Area:	23.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0