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| CAS No.: | 6968-76-9 |
|---|---|
| Name: | 1-(3-Methoxyphenyl)piperazine dihydrochloride |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C11H18Cl2N2O |
| Molecular Weight: | 265.18 |
| Synonyms: | Piperazine,1-(3-methoxyphenyl)-, dihydrochloride (9CI);4-(3-Methoxyphenyl)piperazine dihydrochloride; |
| EINECS: | 230-189-7 |
| Melting Point: | 201-204 °C |
| Boiling Point: | 344oC at 760 mmHg |
| Flash Point: | 161.8oC |
| Solubility: | Soluble in water. |
| Appearance: | White to gray or light purple powder. |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 28A-26-36 |
| PSA: | 24.50000 |
| LogP: | 3.10260 |
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Specification
The IUPAC name of Piperazine,1-(3-methoxyphenyl)-, hydrochloride (1:2) is 1-(3-methoxyphenyl)piperazine dihydrochloride. With the CAS registry number 6968-76-9 and EINECS 230-189-7, it is also named as 1-(3-Methoxyphenyl)piperazine HCl. The product's categories are Piperazines; Piperazine Derivative. In addition, the formula is C11H18Cl2N2O.
The other characteristics of this product can be summarized as: (1)H-Bond Donor: 3; (2)H-Bond Acceptor: 3; (3)Rotatable Bond Count: 2; (4)Exact Mass: 264.079619; (5)MonoIsotopic Mass: 264.079619; (6)Topological Polar Surface Area: 24.5; (7)Heavy Atom Count: 16; (8)Formal Charge: 0; (9)Complexity: 169; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Covalently-Bonded Unit Count: 3.
Uses of Piperazine,1-(3-methoxyphenyl)-, hydrochloride (1:2): It is used to produce 7-{3-[4-(3-methoxy-phenyl)-piperazin-1-yl]-propyl}-1-methyl-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione. This reaction needs reagents NaHCO3, NaI and solvent acetonitrile by heating. The reaction time is 14 hours. The yield is 84%.
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When you are using this chemical, please be cautious about it as the following:
It is Irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective iclothing.
People can use the following data to convert to the molecule structure.
1. SMILES:COc1cccc(c1)N2CCNCC2.Cl.Cl
2. InChI:InChI=1/C11H16N2O.2ClH/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13;;/h2-4,9,12H,5-8H2,1H3;2*1H
3. InChIKey:UKUNKQNESKRETR-UHFFFAOYAA