(2R,3S)-2-Methyl-3-pyrrolidinol Hydrochloride - CAS 817555-02-5

Name: (2R,3S)-2-Methyl-3-pyrrolidinol Hydrochloride
Brand: BOC Sciences
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Catalog:	BB063794
Product Name:	(2R,3S)-2-Methyl-3-pyrrolidinol Hydrochloride
CAS:	817555-02-5
Synonyms:	(2R,3S)-2-Methylpyrrolidin-3-ol Hydrochloride

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(2R,3S)-2-methylpyrrolidin-3-olhydrochloride
Description:	(2R,3S)-2-Methyl-3-pyrrolidinol Hydrochloride may be useful in the preparation of piperazinylguanidinoquinazolinones as melanocortin- 4 receptor (MCR- 4) agonists.
Molecular Weight:	101.15 + 36.46
Molecular Formula:	C5H11NO·HCl
Canonical SMILES:	CC1C(CCN1)O.Cl
InChI:	InChI=1S/C5H11NO.ClH/c1-4-5(7)2-3-6-4/h4-7H,2-3H2,1H31H/t4-,5+/m1./s1
InChI Key:	CFFLXBUMALVKSD-JBUOLDKXSA-N
References:	Boyce, R. S., et al. PCT Int. Appl., 199 pp., 2005:490293 (2005).

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	65.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	137.0607417
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	137.0607417
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0