1-Boc-2-ethylpiperazine - CAS 393781-71-0

Catalog:	BB023952
Product Name:	1-Boc-2-ethylpiperazine
CAS:	393781-71-0
Synonyms:	2-ethyl-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 2-ethylpiperazine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 2-ethylpiperazine-1-carboxylate
Description:	1-Boc-2-ethylpiperazine (CAS# 393781-71-0) is a useful research chemical.
Molecular Weight:	214.30
Molecular Formula:	C11H22N2O2
Canonical SMILES:	CCC1CNCCN1C(=O)OC(C)(C)C
InChI:	InChI=1S/C11H22N2O2/c1-5-9-8-12-6-7-13(9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3
InChI Key:	CTCGRXDGXGUOTE-UHFFFAOYSA-N
Boiling Point:	286.7 °C at 760 mmHg
Density:	0.981 g/cm³
MDL:	MFCD03265490
LogP:	1.87200

Publication Number	Title	Priority Date
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327
WO-2021174164-A1	Compounds and methods for modulating splicing	20200228
WO-2021174174-A1	Thiophenyl derivatives useful for modulating nucleic acid splicing	20200228
WO-2021078021-A1	Small molecular compound	20191024
CN-112390818-A	Substituted heteroaromatic dihydro pyrimidone derivatives, preparation method and medical application thereof	20190812

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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:	3
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4