1-Fmoc-3-oxopiperazine - CAS 1119449-40-9

Catalog:	BB002830
Product Name:	1-Fmoc-3-oxopiperazine
CAS:	1119449-40-9
Synonyms:	9H-fluoren-9-ylmethyl 3-oxopiperazine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	9H-fluoren-9-ylmethyl 3-oxopiperazine-1-carboxylate
Description:	1-Fmoc-3-oxopiperazine (CAS# 1119449-40-9 ) is a useful research chemical.
Molecular Weight:	322.36
Molecular Formula:	C19H18N2O3
Canonical SMILES:	C1CN(CC(=O)N1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI:	InChI=1S/C19H18N2O3/c22-18-11-21(10-9-20-18)19(23)24-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,20,22)
InChI Key:	YQKHEDWUIMBPKY-UHFFFAOYSA-N
Storage:	Keep in dark place, Sealed in dry, Room Temperature
LogP:	2.58110

Publication Number	Title	Priority Date
EP-2632464-A1	Inhibitors of the renal outer medullary potassium channel	20101029
EP-2632464-B1	Inhibitors of the renal outer medullary potassium channel	20101029
US-2013217680-A1	Inhibitors of the Renal Outer Medullary Potassium Channel	20101029
US-9056859-B2	Inhibitors of the renal outer medullary potassium channel	20101029
WO-2012058134-A1	Inhibitors of the renal outer medullary potassium channel	20101029

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	473
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	322.13174244
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	322.13174244
Rotatable Bond Count:	3
Topological Polar Surface Area:	58.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4