2-(1-Boc-3-pyrrolidyl)ethanamine - CAS 1048920-45-1

Catalog:	BB001506
Product Name:	2-(1-Boc-3-pyrrolidyl)ethanamine
CAS:	1048920-45-1
Synonyms:	3-(2-aminoethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 3-(2-aminoethyl)pyrrolidine-1-carboxylate

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Computed Properties

IUPAC Name:	tert-butyl 3-(2-aminoethyl)pyrrolidine-1-carboxylate
Description:	2-(1-Boc-3-pyrrolidyl)ethanamine (CAS# 1048920-45-1) is a useful research chemical.
Molecular Weight:	214.30
Molecular Formula:	C11H22N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(C1)CCN
InChI:	InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-9(8-13)4-6-12/h9H,4-8,12H2,1-3H3
InChI Key:	JHHBMDKAYOQBBB-UHFFFAOYSA-N
MDL:	MFCD09759135
LogP:	2.23040

Publication Number	Title	Priority Date
WO-2020198583-A1	Bicyclic jak inhibitors and uses thereof	20190327
AU-2018325451-A1	Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor	20170831
WO-2019046784-A1	COMPOUNDS AND METHODS FOR MODULATION OF A2B RECEPTOR OF ADENOSINE AND A2A RECEPTOR OF ADENOSINE	20170831
CN-111629728-A	Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor	20170831
EP-3675856-A1	Compounds and methods for modulating adenosine a2b receptor and adenosine a2a receptor	20170831

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Related Functional Groups

Pyrrolidines

[1096881-75-2]
1-Benzhydryl-3-pyrrolidinone
[1228070-72-1]
(Racemic trans)-1-tert-butyl 3-methyl 4-(2-Chloro-5-methylpyridin-3-yl)pyrrolidine-1,3-dicarboxylate
[2006277-06-9]
1-(5-Bromopentyl)pyrrolidine Hydrobromide
[98435-76-8]
1-Ethyl-L-proline
[5747-92-2]
Ethyl 1-benzyl-pyrrolidine-3-carboxylate
[14398-95-9]
Ethyl 1-methylpyrrolidine-3-carboxylate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.168127949
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.168127949
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9