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1-(3-Chloropropyl)-4-methylpiperazine Dihydrochloride

1-(3-Chloropropyl)-4-methylpiperazine Dihydrochloride - CAS 2031-23-4

Catalog:	BB015790
Product Name:	1-(3-Chloropropyl)-4-methylpiperazine Dihydrochloride
CAS:	2031-23-4
Synonyms:	1-(3-chloropropyl)-4-methylpiperazine;dihydrochloride; 1-(3-chloropropyl)-4-methylpiperazine;dihydrochloride

Technical Data

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Computed Properties

IUPAC Name:	1-(3-chloropropyl)-4-methylpiperazine;dihydrochloride
Description:	1-(3-Chloropropyl)-4-methylpiperazine Dihydrochloride (CAS# 2031-23-4) is a useful research chemical.
Molecular Weight:	249.61
Molecular Formula:	C8H19Cl3N2
Canonical SMILES:	CN1CCN(CC1)CCCCl.Cl.Cl
InChI:	InChI=1S/C8H17ClN2.2ClH/c1-10-5-7-11(8-6-10)4-2-3-9;;/h2-8H2,1H3;2*1H
InChI Key:	RRZYWKLLIIIINP-UHFFFAOYSA-N
Boiling Point:	242.9 °C at 760 mmHg
LogP:	2.34250

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	100
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.061382
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	248.061382
Rotatable Bond Count:	3
Topological Polar Surface Area:	6.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0