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Cas Database |
| Name |
(R)-1-N-Boc-2-methylpiperazine |
EINECS | N/A |
| CAS No. | 170033-47-3 | Density | 0.997 g/cm3 |
| PSA | 41.57000 | LogP | 1.48190 |
| Solubility | N/A | Melting Point |
34-36 °C |
| Formula | C10H20N2O2 | Boiling Point | 268.7 °C at 760 mmHg |
| Molecular Weight | 200.281 | Flash Point | 116.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes |
 Xi:; |
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| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
1-Piperazinecarboxylicacid, 2-methyl-, 1,1-dimethylethyl ester, (R)-;(R)-2-Methylpiperazine-1-carboxylicacid tert-butyl ester;(R)-tert-Butyl 2-methylpiperazine-1-carboxylate;1,1-Dimethylethyl(2R)-2-methyl-1-piperazinecarboxylate;2-Methylpiperazine-1-carboxylic acid(R)-tert-butyl ester;tert-Butyl 2(R)-methylpiperazine-1-carboxylate; |
Article Data | 6 |
(R)-1-N-Boc-2-methylpiperazine Specification
The (R)-1-N-Boc-2-methylpiperazine is an organic compound with the formula C10H20N2O2. The systematic name of this chemical is tert-butyl (2R)-2-methylpiperazine-1-carboxylate. With the CAS registry number 170033-47-3, it is also named as 1-Piperazinecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester, (2R)-. The product's categories are Pharmacetical; Pyrans, Piperidines & Piperazines; Piperaizine; Pyrans, Piperidines & Piperazines.
The other characteristics of (R)-1-N-Boc-2-methylpiperazine can be summarized as: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 49; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.57 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 54.884 cm3; (15)Molar Volume: 200.723 cm3; (16)Polarizability: 21.758×10-24 cm3; (17)Surface Tension: 31.441 dyne/cm; (18)Density: 0.998 g/cm3; (19)Flash Point: 116.33 °C; (20)Enthalpy of Vaporization: 50.683 kJ/mol; (21)Boiling Point: 268.74 °C at 760 mmHg; (22)Vapour Pressure: 0.008 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC(C)(C)C)N1[C@@H](CNCC1)C
2. InChI:InChI=1/C10H20N2O2/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m1/s1
3. InChIKey:DATRVIMZZZVHMP-MRVPVSSYBO
4. Std. InChI:InChI=1S/C10H20N2O2/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m1/s1
5. Std. InChIKey:DATRVIMZZZVHMP-MRVPVSSYSA-N
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