Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Piperazinecarboxylic acid methyl ester |
EINECS | N/A |
CAS No. | 2758-98-7 | Density | 1.059 g/cm3 |
PSA | 50.36000 | LogP | -0.62160 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H12N2O2 | Boiling Point | 223.6 °C at 760 mmHg |
Molecular Weight | 144.173 | Flash Point | 89 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-methoxycarbonyltetrahydropyrazine;2-Piperazinecarboxylic acid methyl ester;methyl 2-piperazinecarboxylate;PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER;2-carbomethoxypiperazine;PIP015; |
Article Data | 6 |
The 2-Piperazinecarboxylic acid methyl ester is an organic compound with the molecular formula C6H12N2O2. The IUPAC name of this chemical is methyl piperazine-2-carboxylate. The CAS registry number is 2758-98-7 and the poduct's categories is pharmacetical. In addition, the price of this product changes with the market.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.72; (4)ACD/LogD (pH 7.4): -2.09; (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: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.443; (13)Molar Refractivity: 36.09 cm3; (14)Molar Volume: 136.1 cm3; (15)Polarizability: 14.3×10-24 cm3; (16)Surface Tension: 30.7 dyne/cm; (17)Enthalpy of Vaporization: 46.01 kJ/mol; (18)Vapour Pressure: 0.0953 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 144.089878; (21)MonoIsotopic Mass: 144.089878; (22)Topological Polar Surface Area: 50.4; (23)Heavy Atom Count: 10.
People can use the following data to convert to the molecule structure.
1. SMILES: O=C(OC)C1NCCNC1;
2. InChI: InChI=1/C6H12N2O2/c1-10-6(9)5-4-7-2-3-8-5/h5,7-8H,2-4H2,1H3;
3. InChIKey: ODQZNBWVRPKMKN-UHFFFAOYAL.