(S)-1-Cbz-2-methylpiperazine - CAS 923565-98-4

Catalog:	BB040495
Product Name:	(S)-1-Cbz-2-methylpiperazine
CAS:	923565-98-4
Synonyms:	(2S)-2-methyl-1-piperazinecarboxylic acid (phenylmethyl) ester; benzyl (2S)-2-methylpiperazine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	benzyl (2S)-2-methylpiperazine-1-carboxylate
Description:	(S)-1-Cbz-2-methylpiperazine (CAS# 923565-98-4) is a useful research chemical.
Molecular Weight:	234.29
Molecular Formula:	C13H18N2O2
Canonical SMILES:	CC1CNCCN1C(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C13H18N2O2/c1-11-9-14-7-8-15(11)13(16)17-10-12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/t11-/m0/s1
InChI Key:	KKBYAYOFCRJQQT-NSHDSACASA-N
Boiling Point:	358 °C at 760 mmHg
Density:	1.105 g/cm³
LogP:	1.88360

Publication Number	Title	Priority Date
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-2020186220-A1	Compounds as inhibitors of macrophage migration inhibitory factor	20190313
KR-20200031938-A	Prodrug compounds of edaravone and their medical use for treating or alleviating neurodegenerative or motor neuron diseases	20180917
WO-2020060092-A1	Edaravone prodrug compound and pharmaceutical use thereof in treatment or alleviation of neurodegenerative or motor neuron disease	20180917

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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]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	252
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	234.136827821
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	234.136827821
Rotatable Bond Count:	3
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4