(S)-2-Methylpyrrolidine - CAS 59335-84-1

Catalog:	BB030351
Product Name:	(S)-2-Methylpyrrolidine
CAS:	59335-84-1
Synonyms:	(2S)-2-methylpyrrolidine; (2S)-2-methylpyrrolidine

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Computed Properties

IUPAC Name:	(2S)-2-methylpyrrolidine
Description:	(S)-2-Methylpyrrolidine (CAS# 59335-84-1) is a useful research chemical.
Molecular Weight:	85.15
Molecular Formula:	C5H11N
Canonical SMILES:	CC1CCCN1
InChI:	InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3/t5-/m0/s1
InChI Key:	RGHPCLZJAFCTIK-YFKPBYRVSA-N
Boiling Point:	100.2 ℃ at 760 mmHg
Purity:	≥ 98 %, ≥ 95 % e.e.
Density:	0.812 g/cm³
MDL:	MFCD07779425
LogP:	1.08710

Publication Number	Title	Priority Date
US-2016122336-A1	TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt	20141030
US-2016075692-A1	Indazole Ureas and Method of Use	20140916
WO-2015150541-A1	Diaminotriazine compound useful as herbicide	20140403
US-2015133500-A1	Benzimidazole derivatives and use thereof	20131108
US-2016221954-A1	Phenyl-dihydropyridine derivatives as inhibitors of aldosterone synthase	20131017

PMID	Publication Date	Title	Journal
18077160	20080101	In vitro SAR of pyrrolidine-containing histamine H3 receptor antagonists: trends across multiple chemical series	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H225 (97.62%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	43.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	85.089149355
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	85.089149355
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7