(R)-3-Pyrrolidinol - CAS 2799-21-5

Catalog:	BB019727
Product Name:	(R)-3-Pyrrolidinol
CAS:	2799-21-5
Synonyms:	(3R)-3-pyrrolidinol; (3R)-pyrrolidin-3-ol

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Computed Properties

IUPAC Name:	(3R)-pyrrolidin-3-ol
Description:	(R)-3-Pyrrolidinol (CAS# 2799-21-5) is used in preparation of allosteric BCR-ABL bifunctional proteolysis targeting chimera compounds.
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/t4-/m1/s1
InChI Key:	JHHZLHWJQPUNKB-SCSAIBSYSA-N
Boiling Point:	215-216 °C
Density:	1.078 g/cm³
MDL:	MFCD00145220
LogP:	-0.33060

Publication Number	Title	Priority Date
US-2016145252-A1	Heteroaryl compounds as irak inhibitors and uses thereof	20141120
US-2016120841-A1	Substituted chromanes and method of use	20141031
US-2016096827-A1	Tank-binding kinase inhibitor compounds	20140926
US-2015344473-A1	Tank-binding kinase inhibitor compounds	20140603
WO-2015179190-A1	N-acylethanolamine hydrolyzing acid amidase (naaa) inhibitors and their use thereof	20140519

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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:	1
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:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7