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CAS No.: | 721876-16-0 |
---|---|
Name: | 4-METHYLPIPERAZINE-2-CARBOXYLIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H12N2O2 |
Molecular Weight: | 144.173 |
Synonyms: | 4-METHYLPIPERAZINE-2-CARBOXYLIC ACID;2-Piperazinecarboxylicacid,4-methyl-(9CI);4-methylpiperazine-2-carboxylic acid(SALTDATA: 2HCl H2O);4-Methyl-2-piperazinecarboxylic acid |
Density: | 1.146 g/cm3 |
Boiling Point: | 285.6 °C at 760 mmHg |
Flash Point: | 126.5 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 52.57000 |
LogP: | -0.75870 |
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This chemical is called 4-Methyl-2-piperazinecarboxylic acid, and its systematic name is 4-methylpiperazine-2-carboxylic acid. With the molecular formula of C6H12N2O2, its molecular weight is 144.17. The CAS registry number of this chemical is 721876-16-0. Additionally, its product category is Aminetertiary.
Other characteristics of the 4-Methyl-2-piperazinecarboxylic acid can be summarised as followings: (1)ACD/LogP: -0.47; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 32.78 Å2; (11)Index of Refraction: 1.486; (12)Molar Refractivity: 36.17 cm3; (13)Molar Volume: 125.7 cm3; (14)Polarizability: 14.34×10-24cm3; (15)Surface Tension: 39.5 dyne/cm; (16)Density: 1.146 g/cm3; (17)Flash Point: 126.5 °C; (18)Enthalpy of Vaporization: 57.73 kJ/mol; (19)Boiling Point: 285.6 °C at 760 mmHg; (20)Vapour Pressure: 0.000716 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C1NCCN(C)C1
2.InChI: InChI=1/C6H12N2O2/c1-8-3-2-7-5(4-8)6(9)10/h5,7H,2-4H2,1H3,(H,9,10)
3.InChIKey: LJMBMKKMKAFQAV-UHFFFAOYAE