cis-1-Boc-2,6-dimethylpiperazine - CAS 180975-66-0

Catalog:	BB013777
Product Name:	cis-1-Boc-2,6-dimethylpiperazine
CAS:	180975-66-0
Synonyms:	(2S,6R)-2,6-dimethyl-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate

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Computed Properties

IUPAC Name:	tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
Description:	cis-1-Boc-2,6-dimethylpiperazine (CAS# 180975-66-0) is a useful research chemical compound.
Molecular Weight:	214.30
Molecular Formula:	C11H22N2O2
Canonical SMILES:	CC1CNCC(N1C(=O)OC(C)(C)C)C
InChI:	InChI=1S/C11H22N2O2/c1-8-6-12-7-9(2)13(8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3/t8-,9+
InChI Key:	RBOGBIZGALIITO-DTORHVGOSA-N
Boiling Point:	279.7 °C at 760 mmHg
Density:	0.97 g/cm³
MDL:	MFCD09265026
LogP:	1.87040

Publication Number	Title	Priority Date
CN-112574199-A	Heterocyclic compounds as Kras-G12C inhibitors	20200520
CN-112574199-B	Heterocyclic compounds as Kras-G12C inhibitors	20200520
US-2021315896-A1	Indazole based compounds and associated methods of use	20200321
WO-2021194879-A1	Indazole based compounds and associated methods of use	20200321
WO-2021127404-A1	Tricyclic pyridones and pyrimidones	20191220

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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:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
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:	1.3