(S)-3-(Benzyloxy)pyrrolidine Hydrochloride - CAS 931409-74-4

Catalog:	BB040789
Product Name:	(S)-3-(Benzyloxy)pyrrolidine Hydrochloride
CAS:	931409-74-4
Synonyms:	(3S)-3-phenylmethoxypyrrolidine;hydrochloride; (3S)-3-phenylmethoxypyrrolidine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	(3S)-3-phenylmethoxypyrrolidine;hydrochloride
Description:	(S)-3-(Benzyloxy)pyrrolidine Hydrochloride (CAS# 931409-74-4) is a useful research chemical.
Molecular Weight:	213.70
Molecular Formula:	C11H16ClNO
Canonical SMILES:	C1CNCC1OCC2=CC=CC=C2.Cl
InChI:	InChI=1S/C11H15NO.ClH/c1-2-4-10(5-3-1)9-13-11-6-7-12-8-11;/h1-5,11-12H,6-9H2;1H/t11-;/m0./s1
InChI Key:	HIPRPABXTKKPPY-MERQFXBCSA-N
Boiling Point:	304.7 °C at 760 mmHg
MDL:	MFCD07784038
LogP:	2.69590

Publication Number	Title	Priority Date
WO-2021018857-A1	3,6-diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their uses as pro-apoptotic agents	20190729
EP-1950198-A1	Process for production of benzyloxypyrrolidine derivative, and process for production of hydrochloride salt powder of optically active benzyloxypyrrolidine derivative	20051031
EP-1950198-B1	Process for production of benzyloxypyrrolidine derivative, and process for production of hydrochloride salt powder of optically active benzyloxypyrrolidine derivative	20051031
US-2009093643-A1	Process for Production of Benzyloxypyrrolidine Derivative, and Process for Production of Hydrochloride Salt Powder of Optically Active Benzyloxypyrrolidine Derivative	20051031
US-7772406-B2	Process for production of benzyloxypyrrolidine derivative, and process for production of hydrochloride salt powder of optically active benzyloxypyrrolidine derivative	20051031

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	213.0920418
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	213.0920418
Rotatable Bond Count:	3
Topological Polar Surface Area:	21.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0