(2S)-Ethylpyrrolidine Hydrochloride - CAS 597562-96-4

Catalog:	BB066041
Product Name:	(2S)-Ethylpyrrolidine Hydrochloride
CAS:	597562-96-4
Synonyms:	(2S)-2-Ethylpyrrolidine Hydrochloride; (2S)-2-Ethylpyrrolidinium Chloride

Technical Data

IUPAC Name:	(2S)-2-ethylpyrrolidinehydrochloride
Description:	(2S)-Ethylpyrrolidine Hydrochloride is used as a reagent in the synthesis of N,N'-substituted-1,3-diamino-2-hydroxypropanes for treating Alzheimer's disease. Also used as a reagent in the synthesis of cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidine derivatives as JAK kinase inhibitors for treatment of autoimmune disease, cancer, inflammatory disease, and other diseases.
Molecular Weight:	135.64
Molecular Formula:	C6H14ClN
Canonical SMILES:	CCC1CCCN1.Cl
InChI:	InChI=1S/C6H13N.ClH/c1-2-6-4-3-5-7-6/h6-7H,2-5H2,1H31H/t6-/m0./s1
InChI Key:	LKNCADZJRBHOFP-RGMNGODLSA-N
Melting Point:	83-85°C
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	20°C, Hygroscopic
References:	Rodgers, J.D., et al. PCT Int. Appl.В WOВ 2012068450В A1В 20120524. May 24, 2012; Varghese, J., et al. PCT Int. Appl.В WOВ 2003040096В A2В 20030515. May 15, 2003.

Complexity:	52.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	135.0814771
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	135.0814771
Rotatable Bond Count:	1
Topological Polar Surface Area:	12Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0