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| CAS No.: | 3445-00-9 |
|---|---|
| Name: | 4-(3-Chloropropyl)piperazine-1-ethanol dihydrochloride |
| Molecular Structure: | |
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| Formula: | C9H21Cl3N2O |
| Molecular Weight: | 371.224 |
| Synonyms: | 1-Piperazineethanol,4-(3-chloropropyl)-, dihydrochloride (7CI,8CI,9CI); |
| EINECS: | 222-358-9 |
| Melting Point: | 222-224 °C |
| Boiling Point: | 323 °C at 760 mmHg |
| Flash Point: | 149.1 °C |
| PSA: | 26.71000 |
| LogP: | 1.70500 |
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Specification
The 4-(3-Chloropropyl)piperazine-1-ethanol dihydrochloride, with the CAS registry number of 3445-00-9, is also known as 1-(2-Hydroxyethyl)-4-(chloropropyl)piperazinehydrochloride. Its EINECS registry number is 222-358-9. This chemical's molecular formula is C9H21Cl3N2O and molecular weight is 279.63484. What's more, its IUPAC name is 2-[4-(3-Chloropropyl)piperazin-1-yl]ethanol dihydrochloride.
Physical properties about 4-(3-Chloropropyl)piperazine-1-ethanol dihydrochloride are: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 15.71 Å2; (7)Flash Point: 149.1 °C; (8)Enthalpy of Vaporization: 65.47 kJ/mol; (9)Boiling Point: 323 °C at 760 mmHg; (10)Vapour Pressure: 2.14E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Cl.ClCCCN1CCN(CCO)CC1
(2) InChI: InChI=1/C9H19ClN2O.2ClH/c10-2-1-3-11-4-6-12(7-5-11)8-9-13;;/h13H,1-9H2;2*1H
(3) InChIKey: GFJQEKFGLWJWDN-UHFFFAOYAK