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| CAS No.: | 94021-22-4 |
|---|---|
| Name: | 2-(1-PIPERAZINYL)PYRIMIDINE DIHYDROCHLORIDE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C8H14Cl2N4 |
| Molecular Weight: | 237.132 |
| Synonyms: | Pyrimidine,2-(1-piperazinyl)-, dihydrochloride (9CI);1-(2-Pyrimidinyl)piperazinedihydrochloride;2-(1-Piperazinyl)pyrimidine dihydrochloride;4-(Pyrimidin-2-yl)piperazinedihydrochloride;N-(2-Pyrimidinyl)piperazine dihydrochloride;NIH 10854; |
| EINECS: | 301-415-2 |
| Melting Point: | 282-287 °C |
| Boiling Point: | 304.6 °C at 760 mmHg |
| Flash Point: | 138 °C |
| Appearance: | white to very slightly beige powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 41.05000 |
| LogP: | 1.88400 |
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Specification
The IUPAC name of 1-(2-Pyrimidyl)piperazine dihydrochloride is 2-piperazin-1-ylpyrimidine dihydrochloride. With the CAS registry number 94021-22-4, it is also named as 2-Piperazinylpyrimidine HCl. The product's categories are amines and anilines, heterocycles and API intermediates. Moreover, its molecular formula is C8H14Cl2N4 and its molecular weight is 237.13. Besides, this chemical is white to very slightly beige powder and hygroscopic, which should be stored in closed containers and stored in cool and dry warehouse away from oxidizing agents.
The other characteristics of 1-(2-Pyrimidyl)piperazine dihydrochloride can be summarized as: (1)EINECS: 301-415-2; (2)H-Bond Donor: 3; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 1; (5)Exact Mass: 236.059552; (6)MonoIsotopic Mass: 236.059552; (7)Topological Polar Surface Area: 41; (8)Heavy Atom Count: 14; (9)Complexity: 127; (10)Flash Point: 152.1 °C; (11)Melting point: 282-287 °C; (12)Enthalpy of Vaporization: 57.03 kJ/mol; (13)Boiling Point: 328 °C at 760 mmHg; (14)Vapour Pressure: 0.000195 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: 1-(2-Pyrimidyl)piperazine dihydrochloride is irritating to eyes, respiratory system and skin. Please wear suitable protective clothing. And in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES:Cl.Cl.n1cccnc1N2CCNCC2
(2)InChI:InChI=1/C8H12N4.2ClH/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;;/h1-3,9H,4-7H2;2*1H
(3)InChIKey:ZNZGJSLHXOMREP-UHFFFAOYAC
(4)Std. InChI:InChI=1S/C8H12N4.2ClH/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;;/h1-3,9H,4-7H2;2*1H
(5)Std. InChIKey:ZNZGJSLHXOMREP-UHFFFAOYSA-N