(1-Methyl-3-pyrrolidyl)methanol - CAS 5021-33-0

Catalog:	BB026953
Product Name:	(1-Methyl-3-pyrrolidyl)methanol
CAS:	5021-33-0
Synonyms:	(1-methyl-3-pyrrolidinyl)methanol; (1-methylpyrrolidin-3-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(1-methylpyrrolidin-3-yl)methanol
Description:	(1-Methyl-3-pyrrolidyl)methanol (CAS# 5021-33-0) is a useful research chemical.
Molecular Weight:	115.17
Molecular Formula:	C6H13NO
Canonical SMILES:	CN1CCC(C1)CO
InChI:	InChI=1S/C6H13NO/c1-7-3-2-6(4-7)5-8/h6,8H,2-5H2,1H3
InChI Key:	NPWMWLAPRVMNBN-UHFFFAOYSA-N
Boiling Point:	141.7 °C at 760 mmHg
Density:	0.973 g/cm³
MDL:	MFCD08059753
LogP:	-0.13170

Publication Number	Title	Priority Date
WO-2021154842-A1	Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding	20200128
WO-2021074351-A1	Selective ligands for tau aggregates	20191016
WO-2021063404-A1	Compound as small molecule inhibitor pd-1/pd-l1 and application thereof	20190930
WO-2021041671-A1	Kras g12d inhibitors	20190829
WO-2020182159-A1	Jak kinase inhibitor, preparation method for same, and applications thereof in field of medicine	20190314

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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:	74.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	115.099714038
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	115.099714038
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0