1-Boc-3,3-dimethylpiperazine - CAS 259808-67-8

Catalog:	BB019094
Product Name:	1-Boc-3,3-dimethylpiperazine
CAS:	259808-67-8
Synonyms:	3,3-dimethyl-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 3,3-dimethylpiperazine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3,3-dimethylpiperazine-1-carboxylate
Description:	1-Boc-3,3-dimethylpiperazine (CAS# 259808-67-8) is a useful research chemical.
Molecular Weight:	214.30
Molecular Formula:	C11H22N2O2
Canonical SMILES:	CC1(CN(CCN1)C(=O)OC(C)(C)C)C
InChI:	InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-6-12-11(4,5)8-13/h12H,6-8H2,1-5H3
InChI Key:	LBAIYWWWORXVEQ-UHFFFAOYSA-N
Boiling Point:	275.1 °C at 760 mmHg
Density:	0.977 g/cm³
LogP:	1.87200

Publication Number	Title	Priority Date
EP-3875452-A1	Monoacylglycerol lipase inhibitors	20200304
WO-2021175913-A1	Monoacylglycerol lipase inhibitors	20200304
WO-2021066958-A1	Inhibitor of btk and mutants thereof	20191005
US-2021024492-A1	Novel pyridazines	20190722
WO-2021013832-A1	1-(6-(methoxy)pyridazin-3-yl)cyclopropane-1-carboxamide derivatives as autotaxin (atx) modulators for the treatment of inflammatory airway diseases	20190722

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	244
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:	2
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1