1-Isobutylpiperazine - CAS 5308-28-1

Catalog:	BB028040
Product Name:	1-Isobutylpiperazine
CAS:	5308-28-1
Synonyms:	1-(2-methylpropyl)piperazine; 1-(2-methylpropyl)piperazine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(2-methylpropyl)piperazine
Description:	1-Isobutylpiperazine (CAS# 5308-28-1) is a useful research chemical, a side chain residue isolated from the analysis of rifalazil impurities. A useful reagent for potentiometric titration and chromatographic analysis.
Molecular Weight:	142.24
Molecular Formula:	C8H18N2
Canonical SMILES:	CC(C)CN1CCNCC1
InChI:	InChI=1S/C8H18N2/c1-8(2)7-10-5-3-9-4-6-10/h8-9H,3-7H2,1-2H3
InChI Key:	HUUQNWZMQSLPMX-UHFFFAOYSA-N
Boiling Point:	65 °C (10 mmHg)
Density:	0.864 g/cm³
Appearance:	Colorless to light liquid
MDL:	MFCD00190596
LogP:	0.81430

Publication Number	Title	Priority Date
WO-2021127190-A1	Irak degraders and uses thereof	20191217
WO-2021043190-A1	Isoxazolo[5,4-h]quinazoline compounds as protein kinase inhibitors	20190905
WO-2021023104-A1	1h-[1, 2, 3]triazolo[4, 5-h] quinazoline compounds acting as protein kinase inhibitors	20190802
US-2020405813-A1	Immunomodulator antibody drug conjugates and uses thereof	20190610
WO-2020251972-A1	Smarca degraders and uses thereof	20190610

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	85.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.146998583
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.146998583
Rotatable Bond Count:	2
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9