(S)-1-Boc-2-(2-aminoethyl)pyrrolidine - CAS 239483-09-1

Catalog:	BB018258
Product Name:	(S)-1-Boc-2-(2-aminoethyl)pyrrolidine
CAS:	239483-09-1
Synonyms:	(2S)-2-(2-aminoethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl (2S)-2-(2-aminoethyl)pyrrolidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl (2S)-2-(2-aminoethyl)pyrrolidine-1-carboxylate
Description:	(S)-1-Boc-2-(2-aminoethyl)pyrrolidine (CAS# 239483-09-1) is a useful research chemical.
Molecular Weight:	214.30
Molecular Formula:	C11H22N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC1CCN
InChI:	InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12/h9H,4-8,12H2,1-3H3/t9-/m0/s1
InChI Key:	VCYKQOGWPICUKV-VIFPVBQESA-N
Boiling Point:	297.5 °C at 760 mmHg
Density:	1.029 g/cm³
LogP:	2.37290

Publication Number	Title	Priority Date
CN-110204537-B	1,2, 5-oxadiazole derivatives as inhibitors of indoleamine 2, 3-dioxygenase	20190710
WO-2012008508-A1	Heterocyclic ring compound	20100714
AU-2009249246-A1	Bicyclic compounds having activity at the CXCR4 receptor	20080522
CA-2725066-A1	Bicyclic compounds having activity at the cxcr4 receptor	20080522
EP-2300456-A1	Bicyclic compounds having activity at the cxcr4 receptor	20080522

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1