3-Hydroxy-3-methylpyrrolidine - CAS 125032-87-3

Catalog:	BB006047
Product Name:	3-Hydroxy-3-methylpyrrolidine
CAS:	125032-87-3
Synonyms:	3-methyl-3-pyrrolidinol; 3-methylpyrrolidin-3-ol

Technical Data

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Computed Properties

IUPAC Name:	3-methylpyrrolidin-3-ol
Description:	3-Hydroxy-3-methylpyrrolidine (CAS# 125032-87-3) is a useful research chemical.
Molecular Weight:	101.15
Molecular Formula:	C5H11NO
Canonical SMILES:	CC1(CCNC1)O
InChI:	InChI=1S/C5H11NO/c1-5(7)2-3-6-4-5/h6-7H,2-4H2,1H3
InChI Key:	ILBDVRCFTYQLOE-UHFFFAOYSA-N
Boiling Point:	169.9 °C at 760 mmHg
Density:	1.009 g/cm³
MDL:	MFCD11100984
LogP:	0.05950

Publication Number	Title	Priority Date
WO-2015048301-A1	Autotaxin inhibitor compounds	20130926
US-2016168158-A1	Novel triazolo[4,5-d]pyrimidine derivatives	20130906
WO-2015003166-A1	Substituted benzofuranyl and benzoxazolyl compounds and uses thereof	20130703
WO-2014170197-A1	Pyrimidine-substituted pyrrolidine derivatives, pharmaceutical compositions and uses thereof	20130417
US-2014275030-A1	Tricyclic heterocycles as bet protein inhibitors	20130315

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Complexity:	74.5
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:	0
Topological Polar Surface Area:	32.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5