methyl piperazine-1-carboxylate - CAS 50606-31-0

Catalog:	BB027132
Product Name:	methyl piperazine-1-carboxylate
CAS:	50606-31-0
Synonyms:	1-piperazinecarboxylic acid methyl ester; methyl piperazine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl piperazine-1-carboxylate
Description:	methyl piperazine-1-carboxylate (CAS# 50606-31-0) is used in the synthesis of piperazine derivatives as kinase inhibitors for the treatment of diabetes, diabetic complications and other dieases.
Molecular Weight:	144.17
Molecular Formula:	C6H12N2O2
Canonical SMILES:	COC(=O)N1CCNCC1
InChI:	InChI=1S/C6H12N2O2/c1-10-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3
InChI Key:	ZPJZSEHCMJYUPI-UHFFFAOYSA-N
Boiling Point:	218.5 °C at 760 mmHg
Purity:	95 %
Density:	1.099 g/cm³
LogP:	-0.07530

Publication Number	Title	Priority Date
CN-111732575-A	N- (3- (pyrimidine-2-yl) phenyl) benzene sulfonamide derivative, pharmaceutical composition, preparation method and application	20200803
WO-2021170797-A1	PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS	20200226
CN-111058318-A	Environment-friendly polyester color modifier and preparation method thereof	20191213
EP-3821947-A1	Heterocyclic trpml1 agonists	20191113
WO-2021094974-A1	Heterocyclic trpml1 agonists	20191113

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Related Functional Groups

Carbonyl Compounds

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GHS Hazard Statement:	H314 (97.56%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.089877630
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	144.089877630
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5