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| CAS No.: | 133525-05-0 |
|---|---|
| Name: | PIPERAZINE-2-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C5H12Cl2N2O2 |
| Molecular Weight: | 203.068 |
| Synonyms: | (±)-Piperazine-2-carboxylic acid dihydrochloride;2-Piperazinecarboxylic acid dihydrochloride; |
| Density: | 1.174g/cm3 |
| Melting Point: | 265 °C (dec.)(lit.) |
| Boiling Point: | 313.6 °C at 760 mmHg |
| Flash Point: | 143.5 °C |
| Solubility: | Soluble in water |
| Appearance: | white or light yellow crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 61.36000 |
| LogP: | 0.89400 |
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- Total:37 Page 1 of 1 1
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Specification
This chemical is called 2-Piperazinecarboxylic acid dihydrochloride, and it's also named as Piperazine-2-carboxylic acid dihydrochloride. With the molecular formula of C5H10N2O2.2(HCl), its molecular weight is 130.15. The CAS registry number of this chemical is 133525-05-0.
Other characteristics of the 2-Piperazinecarboxylic acid dihydrochloride can be summarised as followings: (1)ACD/LogP: -1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.34; (4)ACD/LogD (pH 7.4): -3.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.78 Å2; (13)Flash Point: 143.5 °C; (14)Enthalpy of Vaporization: 61 kJ/mol; (15)Boiling Point: 313.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000107 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C1NCCNC1.Cl.Cl
2.InChI: InChI=1/C5H10N2O2.2ClH/c8-5(9)4-3-6-1-2-7-4;;/h4,6-7H,1-3H2,(H,8,9);2*1H
3.InChIKey: WNSDZBQLMGKPQS-UHFFFAOYAH