3-hydroxypyrrolidine hydrochloride - CAS 86070-82-8

Catalog:	BB037817
Product Name:	3-hydroxypyrrolidine hydrochloride
CAS:	86070-82-8
Synonyms:	3-pyrrolidinol;hydrochloride; pyrrolidin-3-ol;hydrochloride

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Computed Properties

IUPAC Name:	pyrrolidin-3-ol;hydrochloride
Description:	3-hydroxypyrrolidine hydrochloride (CAS# 86070-82-8) is a useful research chemical.
Molecular Weight:	123.58
Molecular Formula:	C4H10ClNO
Canonical SMILES:	C1CNCC1O.Cl
InChI:	InChI=1S/C4H9NO.ClH/c6-4-1-2-5-3-4;/h4-6H,1-3H2;1H
InChI Key:	QPMSJEFZULFYTB-UHFFFAOYSA-N
Boiling Point:	224.7 °C at 760 mmHg
Purity:	97.0 %
MDL:	MFCD03001754
LogP:	0.47140

Publication Number	Title	Priority Date
WO-2021201036-A1	Hydroxypyrrolidine derivative and medicinal application thereof	20200331
CN-111349035-A	Organic-inorganic hybrid perovskite and preparation method and application thereof	20200306
CN-111349035-B	Organic-inorganic hybrid perovskite and preparation method and application thereof	20200306
WO-2021116451-A1	Heterocyclic compounds as modulators of stimulator of interferon genes (sting)	20191211
US-2021024510-A1	Bicyclic cx3cr1 receptor agonists	20190723

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	46.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.0450916
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	123.0450916
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0