1-Boc-3-(methylamino)pyrrolidine - CAS 454712-26-6

Catalog:	BB025882
Product Name:	1-Boc-3-(methylamino)pyrrolidine
CAS:	454712-26-6
Synonyms:	3-(methylamino)-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 3-(methylamino)pyrrolidine-1-carboxylate

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Computed Properties

IUPAC Name:	tert-butyl 3-(methylamino)pyrrolidine-1-carboxylate
Description:	1-Boc-3-(methylamino)pyrrolidine (CAS# 454712-26-6) is a useful research chemical.
Molecular Weight:	200.28
Molecular Formula:	C10H20N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(C1)NC
InChI:	InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-5-8(7-12)11-4/h8,11H,5-7H2,1-4H3
InChI Key:	OKUCEQDKBKYEJY-UHFFFAOYSA-N
Boiling Point:	269 °C
Density:	1.03 g/cm³
MDL:	MFCD06656606
LogP:	1.54400

Publication Number	Title	Priority Date
WO-2021121390-A1	Heterocyclic compound, and pharmaceutical composition thereof, preparation method therefor, intermediate thereof and application thereof	20191220
WO-2021127397-A1	Nitrogen heterocyclic compounds and methods of use	20191219
US-2021147386-A1	Pyrrolidine and piperidine compounds	20191106
WO-2021028643-A1	Heterocyclic compounds for use in the treatment of cancer	20190809
WO-2020176761-A1	Imidazolopyrazine compounds for ire1 inhibition	20190227

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GHS Hazard Statement:	H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P301+P310, P321, P330, P391, P405, and P501
Signal Word:	Danger

Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.152477885
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.152477885
Rotatable Bond Count:	3
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9