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1-(2-Chloroethyl)-4-methylpiperazine Dihydrochloride

1-(2-Chloroethyl)-4-methylpiperazine Dihydrochloride - CAS 5753-26-4

Catalog:	BB029737
Product Name:	1-(2-Chloroethyl)-4-methylpiperazine Dihydrochloride
CAS:	5753-26-4
Synonyms:	1-(2-chloroethyl)-4-methylpiperazine;dihydrochloride; 1-(2-chloroethyl)-4-methylpiperazine;dihydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(2-chloroethyl)-4-methylpiperazine;dihydrochloride
Description:	1-(2-Chloroethyl)-4-methylpiperazine Dihydrochloride (CAS# 5753-26-4) is a useful research chemical.
Molecular Weight:	235.58
Molecular Formula:	C7H17Cl3N2
Canonical SMILES:	CN1CCN(CC1)CCCl.Cl.Cl
InChI:	InChI=1S/C7H15ClN2.2ClH/c1-9-4-6-10(3-2-8)7-5-9;;/h2-7H2,1H3;2*1H
InChI Key:	KQZFOKHEYIMXID-UHFFFAOYSA-N
Boiling Point:	217.4 °C at 760 mmHg
Density:	1.032 g/cm³
MDL:	MFCD12031872
LogP:	0.34840

Publication Number	Title	Priority Date
WO-2021174475-A1	Organic compounds	20200305
WO-2021175971-A1	Heterocyclic derivatives as trmp8 antagonists	20200305
WO-2020260871-A1	New compounds and methods	20190624
WO-2020151589-A1	Acylamino bridged heterocyclic compound, and composition and application thereof	20190125
TW-202041507-A	Amido bridged heterocyclic compound, and composition and application thereof	20190125

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	89.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.045732
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	234.045732
Rotatable Bond Count:	2
Topological Polar Surface Area:	6.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0