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| CAS No.: | 2762-32-5 |
|---|---|
| Name: | 2-Piperazinecarboxylic acid dihydrochloride |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C5H10N2O2 |
| Molecular Weight: | 130.147 |
| Synonyms: | Piperazine-2-carboxylic acid; |
| Density: | 1.174 g/cm3 |
| Melting Point: | 291-293 oC (dec.) |
| Boiling Point: | 313.6 °C at 760 mmHg |
| Flash Point: | 143.5 °C |
| Hazard Symbols: | 36/37/38:; |
| Risk Codes: | Xi:; ">  Xi:; |
| Safety: | 26-36 |
| PSA: | 61.36000 |
| LogP: | 0.89400 |
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Specification
The 2-Piperazinecarboxylic acid is an organic compound with the formula C5H10N2O2. The IUPAC name of this chemical is piperazine-2-carboxylic acid and the CAS registry number is 2762-32-5. In addition, the molecular weight is 130.1451.
The other characteristics of 2-Piperazinecarboxylic acid can be summarized as: (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)Index of Refraction: 1.476; (14)Molar Refractivity: 31.25 cm3; (15)Molar Volume: 110.7 cm3; (16)Surface Tension: 39.2 dyne/cm; (17)Enthalpy of Vaporization: 61 kJ/mol; (18)Vapour Pressure: 0.000107 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 130.074228; (21)MonoIsotopic Mass: 130.074228; (22)Topological Polar Surface Area: 61.4; (23)Heavy Atom Count: 9; (24)Complexity: 116.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)C1NCCNC1
2. InChI:InChI=1/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9)
3. InChIKey:JSSXHAMIXJGYCS-UHFFFAOYAW
4. Std. InChI:InChI=1S/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9)
5. Std. InChIKey:JSSXHAMIXJGYCS-UHFFFAOYSA-N