(RS)-3-Pyrrolidinemethanol - CAS 5082-74-6

Catalog:	BB027231
Product Name:	(RS)-3-Pyrrolidinemethanol
CAS:	5082-74-6
Synonyms:	pyrrolidin-3-ylmethanol

Technical Data

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Computed Properties

IUPAC Name:	pyrrolidin-3-ylmethanol
Description:	(RS)-3-Pyrrolidinemethanol (CAS# 5082-74-6) is a useful research chemical.
Molecular Weight:	101.15
Molecular Formula:	C5H11NO
Canonical SMILES:	C1CNCC1CO
InChI:	InChI=1S/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2
InChI Key:	QOTUIIJRVXKSJU-UHFFFAOYSA-N
Boiling Point:	176.1 °C at 760 mmHg
Purity:	97.0 %
Density:	0.978 g/cm³
MDL:	MFCD07773080
LogP:	-0.08300

Publication Number	Title	Priority Date
CN-111808007-A	Preparation method of chiral 3-substituted pyrrolidine derivative	20200623
WO-2021198188-A1	Quinazolinone derivatives and uses thereof for treating a cancer	20200330
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327
WO-2021170109-A1	Tropomyosin receptor kinase (trk) degradation compounds and methods of use	20200226
JP-2021127336-A	Compound	20200214

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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:	56
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	101.084063974
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	101.084063974
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5