3-Pyrrolidinol - CAS 40499-83-0

Catalog:	BB024533
Product Name:	3-Pyrrolidinol
CAS:	40499-83-0
Synonyms:	pyrrolidin-3-ol

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Computed Properties

IUPAC Name:	pyrrolidin-3-ol
Description:	3-Pyrrolidinol (CAS# 40499-83-0) is a useful research chemical.
Molecular Weight:	87.12
Molecular Formula:	C4H9NO
Canonical SMILES:	C1CNCC1O
InChI:	InChI=1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2
InChI Key:	JHHZLHWJQPUNKB-UHFFFAOYSA-N
Boiling Point:	108-110 °C (8 mmHg)
Purity:	> 95 %
Density:	1.076 g/cm³
Appearance:	Clear yellow liquid
MDL:	MFCD00005256
LogP:	-0.33060

Publication Number	Title	Priority Date
CN-113307779-A	Heterocyclic substituted biphenyl compound, preparation method and application	20210525
CN-113461668-A	Novel biphenyl derivative, preparation method and medical application thereof	20210430
CN-112892232-A	Organic solvent-resistant nanofiltration composite membrane, preparation method and application	20210202
CN-112778294-A	5-aminoisoxazole derivative and application thereof in preparation of multi-kinase inhibitor	20210107
CN-113321645-A	5-aminoisoxazole derivative and application thereof in preparation of multi-kinase inhibitor	20210107

PMID	Publication Date	Title	Journal
22151054	20120201	Structural insights of the MLF1/14-3-3 interaction	The FEBS journal
21782431	20111115	Monosubstituted γ-lactam and conformationally constrained 1,3-diaminopropan-2-ol transition-state isostere inhibitors of β-secretase (BACE)	Bioorganic & medicinal chemistry letters
20309975	20100510	A 4-hydroxypyrrolidine-catalyzed mannich reaction of aldehydes: control of anti-selectivity by hydrogen bonding assisted by Brønsted acids	Chemistry (Weinheim an der Bergstrasse, Germany)
19387991	20100101	Synthesis and chiroptical properties of chiral azoaromatic dendrimers with a C3-symmetrical core	Chirality
19910191	20100101	Discovery of orally available integrin alpha5beta1 antagonists	Bioorganic & medicinal chemistry letters

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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:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	87.068413911
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	87.068413911
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7