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2-Piperazinecarboxylic acid methyl ester

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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 Molecular Structure of 2758-98-7 (2-Piperazinecarboxylic acid methyl ester) 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

2-Piperazinecarboxylic acid methyl ester Specification

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.

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