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| CAS No.: | 252990-05-9 |
|---|---|
| Name: | (R)-N-Boc-piperazine-2-carboxylic acid methyl ester |
| Molecular Structure: | |
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| Formula: | C11H20N2O4 |
| Molecular Weight: | 244.291 |
| Synonyms: | (R)-Piperazine-1,2-dicarboxylicacid 1-tert-butyl ester 2-methyl ester;Methyl (R)-1-Boc-piperazine-2-carboxylate;(R)-1-tert-Butyl 2-methyl piperazine-1,2-dicarboxylate; |
| Density: | 1.119 g/cm3 |
| Boiling Point: | 321.277 °C at 760 mmHg |
| Flash Point: | 148.103 °C |
| PSA: | 67.87000 |
| LogP: | 0.63500 |
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Specification
The (R)-N-Boc-piperazine-2-carboxylic acid methyl ester, with the CAS registry number 252990-05-9, is also known as (R)-Piperazine-1,2-dicarboxylicacid 1-tert-butyl ester 2-methyl ester. It belongs to the product categories of Pharmacetical; Piperaizine; Amino acids. This chemical's molecular formula is C11H20N2O4 and molecular weight is 244.29. What's more, its systematic name is 2-Methyl 1-(2-methyl-2-propanyl) (2R)-1,2-piperazinedicarboxylate.
Physical properties of (R)-N-Boc-piperazine-2-carboxylic acid methyl ester are: (1)ACD/LogP: 0.726; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.01; (4)ACD/LogD (pH 7.4): 0.49; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.23; (7)ACD/KOC (pH 5.5): 1.08; (8)ACD/KOC (pH 7.4): 34.68; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 67.87 Å2; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 61.127 cm3; (15)Molar Volume: 218.343 cm3; (16)Polarizability: 24.233×10-24cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.119 g/cm3; (19)Flash Point: 148.103 °C; (20)Enthalpy of Vaporization: 56.302 kJ/mol; (21)Boiling Point: 321.277 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1[C@@H](C(=O)OC)CNCC1
(2)Std. InChI: InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4/h8,12H,5-7H2,1-4H3/t8-/m1/s1
(3)Std. InChIKey: BRXKHIPPSTYCKO-MRVPVSSYSA-N