CAS No.2031-23-4,1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2031-23-4
Name:	1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride
Article Data:	6

Formula:	C₈H₁₉Cl₃N₂
Molecular Weight:	249.611
Synonyms:	Piperazine,1-(3-chloropropyl)-4-methyl-, dihydrochloride (7CI,8CI,9CI);3-(4-Methyl-1-piperazinyl)propyl chloride dihydrochloride;1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride;1-(3-Chloropropyl)-4-methylpiperazine HCl;
EINECS:	217-981-8
Melting Point:	255-257 °C (decomp)(Solv: ethanol (64-17-5))
Boiling Point:	242.9 °C at 760 mmHg
Flash Point:	100.7 °C
Hazard Symbols:	Xi
PSA:	6.48000
LogP:	2.34250

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Specification

The IUPAC name of 1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride is 1-(3-chloropropyl)-4-methylpiperazine dihydrochloride. With the CAS registry number 2031-23-4, it is also named as 1-(3-Chloropropyl)-4-methylpiperazine HCl. In addition, its molecular formula is C₈H₁₉Cl₃N₂ and molecular weight is 249.61.

The other characteristics of 1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride can be summarized as: (1)EINECS: 217-981-8; (2)ACD/LogP: 0.38; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -2.03; (5)ACD/LogD (pH 7.4): -0.32; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 7.65; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 3; (13)Polar Surface Area: 6.48 Å²; (14)Flash Point: 100.7 °C; (15)Enthalpy of Vaporization: 47.99 kJ/mol; (16)Boiling Point: 242.9 °C at 760 mmHg; (17)Vapour Pressure: 0.033 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.Cl.ClCCCN1CCN(CC1)C
(2)InChI: InChI=1/C8H17ClN2.2ClH/c1-10-5-7-11(8-6-10)4-2-3-9;;/h2-8H2,1H3;2*1H
(3)InChIKey: RRZYWKLLIIIINP-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H17ClN2.2ClH/c1-10-5-7-11(8-6-10)4-2-3-9;;/h2-8H2,1H3;2*1H
(5)Std. InChIKey: RRZYWKLLIIIINP-UHFFFAOYSA-N