(S)-1-Boc-2-isobutylpiperazine - CAS 674792-06-4

Catalog:	BB033291
Product Name:	(S)-1-Boc-2-isobutylpiperazine
CAS:	674792-06-4
Synonyms:	(2S)-2-(2-methylpropyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl (2S)-2-(2-methylpropyl)piperazine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl (2S)-2-(2-methylpropyl)piperazine-1-carboxylate
Description:	(S)-1-Boc-2-isobutylpiperazine (CAS# 674792-06-4) is a useful research chemical.
Molecular Weight:	242.36
Molecular Formula:	C13H26N2O2
Canonical SMILES:	CC(C)CC1CNCCN1C(=O)OC(C)(C)C
InChI:	InChI=1S/C13H26N2O2/c1-10(2)8-11-9-14-6-7-15(11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3/t11-/m0/s1
InChI Key:	WXGGVOBNOVOVAM-NSHDSACASA-N
Boiling Point:	315.5 °C at 760 mmHg
Density:	0.962 g/cm³
MDL:	MFCD03787916
LogP:	2.28510

Publication Number	Title	Priority Date
CN-104046246-A	Chemical Mechanical Planarization for Tungsten-Containing Substrates	20130312
EP-2779217-A2	Chemical mechanical planarization for tungsten-containing substrates	20130312
JP-2014194016-A	Chemical mechanical planarization for tungsten-containing substrates	20130312
KR-20140111992-A	Chemical mechanical planarization for tungsten-containing substrates	20130312
TW-201435073-A	Chemical mechanical polishing of tungsten-containing substrates	20130312

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	242.199428076
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.199428076
Rotatable Bond Count:	4
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2