4-Methyl-1-piperazinesulfonyl Chloride - CAS 1688-95-5

Name: 4-Methyl-1-piperazinesulfonyl Chloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012500
Product Name:	4-Methyl-1-piperazinesulfonyl Chloride
CAS:	1688-95-5
Synonyms:	4-methyl-1-piperazinesulfonyl chloride; 4-methylpiperazine-1-sulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-methylpiperazine-1-sulfonyl chloride
Description:	4-Methyl-1-piperazinesulfonyl Chloride (CAS# 1688-95-5) is a useful research chemical.
Molecular Weight:	198.67
Molecular Formula:	C5H11ClN2O2S
Canonical SMILES:	CN1CCN(CC1)S(=O)(=O)Cl
InChI:	InChI=1S/C5H11ClN2O2S/c1-7-2-4-8(5-3-7)11(6,9)10/h2-5H2,1H3
InChI Key:	GDYYZWFHNRVHCC-UHFFFAOYSA-N
Boiling Point:	282.1 °C at 760 mmHg
Density:	1.44 g/cm³
LogP:	0.67400

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Related Functional Groups

Piperazines

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[1187874-30-1]C15H15F3N4O
6-(4-(Piperazin-1-yl)-3-(trifluoromethyl)phenyl)pyridazin-3(2H)-one
[104481-24-5]C10H15N3O2S
Ethyl 2-piperazin-1-yl-thiazole-4-carboxylate
[1197236-47-7]C14H24ClN5O3
Ethyl 4-[2-(4-amino-3-methylpyrazol-1-yl)propanoyl]piperazine-1-carboxylate hydrochloride
[860227-61-8]0
3-(4-Methylpiperazin-1-yl)propan-1-ol hydrochloride
[400756-19-6]C9H18N2O
6,6-dimethyl-1-(propan-2-yl)piperazin-2-one

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501
Signal Word:	Danger

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Complexity:	215
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.0229765
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.0229765
Rotatable Bond Count:	1
Topological Polar Surface Area:	49
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1