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Cas Database |
| Name |
1-Piperazinecarboxylicacid, 2,5-dimethyl-, 1,1-dimethylethyl ester, (2R,5S)-rel- |
EINECS | N/A |
| CAS No. | 194032-41-2 | Density | 0.97 g/cm3 |
| PSA | 41.57000 | LogP | 1.87040 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H22N2O2 | Boiling Point | 279.7 °C at 760 mmHg |
| Molecular Weight | 214.308 | Flash Point | 123 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Piperazinecarboxylicacid, 2,5-dimethyl-, 1,1-dimethylethyl ester, trans-;N-(tert-Butoxycarbonyl)-trans-2,5-dimethylpiperazine;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;1-N-Boc-2R,5S-dimethyl-Piperazine;1-piperazinecarboxylic acid, 2,5-dimethyl-, 1,1-dimethylethyl ester, (2R,5S)-;T-butyl(2R,5S)-2,5-dimethylpiperazine-1-carboxylate;tert-Butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate; |
Article Data | 11 |
1-Piperazinecarboxylicacid, 2,5-dimethyl-, 1,1-dimethylethyl ester, (2R,5S)-rel- Specification
The 1-Piperazinecarboxylicacid, 2,5-dimethyl-, 1,1-dimethylethyl ester, (2R,5S)-rel-, with the CAS registry number 194032-41-2, has the systematic name of tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate. It belongs to the product category of Nitrogen cyclic compounds. And the molecular formula of this chemical is C11H22N2O2.
The physical properties of 1-Piperazinecarboxylicacid, 2,5-dimethyl-, 1,1-dimethylethyl ester, (2R,5S)-rel- are as followings: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.26; (4)#H bond acceptors: 4; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 41.57 Å2; (8)Index of Refraction: 1.452; (9)Molar Refractivity: 59.59 cm3; (10)Molar Volume: 220.7 cm3; (11)Polarizability: 23.62×10-24cm3; (12)Surface Tension: 29.2 dyne/cm; (13)Density: 0.97 g/cm3; (14)Flash Point: 123 °C; (15)Enthalpy of Vaporization: 51.84 kJ/mol; (16)Boiling Point: 279.7 °C at 760 mmHg; (17)Vapour Pressure: 0.00394 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C
(2)InChI: InChI=1/C11H22N2O2/c1-8-7-13(9(2)6-12-8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3/t8-,9+/m0/s1
(3)InChIKey: PGZCVLUQTJRRAA-DTWKUNHWBY
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