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| CAS No.: | 64044-11-7 |
|---|---|
| Name: | (S)-PIPERAZINE-2-CARBOXYLIC ACID |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C5H10N2O2 |
| Molecular Weight: | 130.147 |
| Synonyms: | 3-Pyridazinecarboxylicacid, hexahydro-, (S)- (9CI);S(-)-Piperazic acid; |
| Density: | 1.174 g/cm3 |
| Boiling Point: | 313.6 °C at 760 mmHg |
| Flash Point: | 143.5 °C |
| PSA: | 61.36000 |
| LogP: | -0.71000 |
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- Total:24 Page 1 of 1 1
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Specification
The 3-Pyridazinecarboxylicacid, hexahydro-, (3S)-, with the CAS registry number 64044-11-7, is also known as (S)-Piperazine-2-carboxylic acid dihydrochloride. This chemical's molecular formula is C5H10N2O2 and molecular weight is 130.15. Its Systematic name is called (2S)-piperazine-2-carboxylic acid.
Physical properties of 3-Pyridazinecarboxylicacid, hexahydro-, (3S)-: (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)Index of Refraction: 1.476; (13)Molar Refractivity: 31.25 cm3; (14)Molar Volume: 110.7 cm3; (15)Surface Tension: 39.2 dyne/cm; (16)Density: 1.174 g/cm3; (17)Flash Point: 143.5 °C; (18)Enthalpy of Vaporization: 61 kJ/mol; (19)Boiling Point: 313.6 °C at 760 mmHg; (20)Vapour Pressure: 0.000107 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]1NCCNC1
(2)InChI: InChI=1/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/s1
(3)InChIKey: JSSXHAMIXJGYCS-BYPYZUCNBD