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1-(3-chloropropyl)-4-methylpiperazine dihydrochloride

1-(3-chloropropyl)-4-methylpiperazine dihydrochloride

CAS: 2031-23-4

Formula: C8H19Cl3N2

SMILES: Cl.Cl.CN1CCN(CCCCl)CC1

IUPAC: 1-(3-chloropropyl)-4-methylpiperazine dihydrochloride

InChI: InChI=1S/C8H17ClN2.2ClH/c1-10-5-7-11(8-6-10)4-2-3-9;;/h2-8H2,1H3;2*1H

Composition: C (38.50%), H (7.67%), Cl (42.61%), N (11.22%)

Molar Mass: 249.6

Atom Count: 32

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 248.0613817
Formal Charge 0
FSP3 1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey RRZYWKLLIIIINP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.25
Topological Polar Surface Area 6.48
Polarizability 19.6
Ring Count 1
Rotatable Bond Count 3

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