N-Boc-3-(hydroxymethyl)-3-methylpyrrolidine - CAS 1263506-20-2

Catalog:	BB006580
Product Name:	N-Boc-3-(hydroxymethyl)-3-methylpyrrolidine
CAS:	1263506-20-2
Synonyms:	3-(hydroxymethyl)-3-methyl-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 3-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
Description:	N-Boc-3-(hydroxymethyl)-3-methylpyrrolidine (CAS# 1263506-20-2) is a useful research chemical.
Molecular Weight:	215.29
Molecular Formula:	C11H21NO3
Canonical SMILES:	CC1(CCN(C1)C(=O)OC(C)(C)C)CO
InChI:	InChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12-6-5-11(4,7-12)8-13/h13H,5-8H2,1-4H3
InChI Key:	OMMHAHKCMUUEOY-UHFFFAOYSA-N
Appearance:	Liquid
LogP:	1.56370

Publication Number	Title	Priority Date
WO-2021030711-A1	Alkynyl quinazoline compounds	20190815
WO-2019243527-A1	Oga inhibitor compounds	20180620
TW-202012392-A	OGA inhibitor compounds	20180620
CN-112292377-A	OGA inhibitor compounds	20180620
EP-3810594-A1	Oga inhibitor compounds	20180620

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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:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.15214353
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	215.15214353
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2