CAS 120-43-4 | 1-Piperazinecarboxylic acid, ethyl ester | CAS Number 120-43-4

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120-43-4 | 1-Piperazinecarboxylic acid, ethyl ester

CAS No: 120-43-4 Catalog No: AG000Q0Z MDL No:MFCD00005964

Product Description

Catalog Number:

AG000Q0Z

Chemical Name:

1-Piperazinecarboxylic acid, ethyl ester

CAS Number:

120-43-4

Molecular Formula:

C7H14N2O2

Molecular Weight:

158.1983

MDL Number:

MFCD00005964

IUPAC Name:

ethyl piperazine-1-carboxylate

InChI:

InChI=1S/C7H14N2O2/c1-2-11-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3

InChI Key:

LNOQURRKNJKKBU-UHFFFAOYSA-N

SMILES:

CCOC(=O)N1CCNCC1

EC Number:

204-395-2

Properties

Complexity:

132

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

158.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

158.201g/mol

Monoisotopic Mass:

158.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2

Literature

Title	Journal
Ethyl 4-{[3-(adamantan-1-yl)-4-phenyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]meth-yl}piperazine-1-carboxyl-ate.	Acta crystallographica. Section E, Structure reports online 20120201
Antitumor activity of JS-K [O2-(2,4-dinitrophenyl) 1-[(4-ethoxycarbonyl)piperazin-1-yl]diazen-1-ium-1,2-diolate] and related O2-aryl diazeniumdiolates in vitro and in vivo.	Journal of medicinal chemistry 20060713