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Cas Database |
| Name |
1-Piperidinecarboxylicacid, 3-(methylamino)-, 1,1-dimethylethyl ester,(3S)- |
EINECS | N/A |
| CAS No. | 912368-73-1 | Density | 1.007g/cm3 |
| PSA | 41.57000 | LogP | 1.93410 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H24N2O2 | Boiling Point | 340.442 °C at 760 mmHg |
| Molecular Weight | 214.308 | Flash Point | 159.694 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-45-61 | Risk Codes | 25-36-50 |
| Molecular Structure |
|
Hazard Symbols | T,N |
| Synonyms |
1-N-Boc-3-(S)-Methylamino-piperidine;(S)-1-N-BOC-3-METHYLAMINOPIPERIDINE;tert-Butyl (S)-3-(methylamino)piperidine-1-carboxylate;(S)-1-Boc-3-(MethylaMino)piperidine;(S)-tert-Butyl 3-(MethylaMino)piperidine-1-carboxylate;S-N-Boc-3-MethylaMino piperidine |
Article Data | 4 |
1-Piperidinecarboxylicacid, 3-(methylamino)-, 1,1-dimethylethyl ester,(3S)- Specification
The 1-Piperidinecarboxylicacid, 3-(methylamino)-, 1,1-dimethylethyl ester,(3S)-, with CAS registry number 912368-73-1, belongs to the following product category: Piperidine. It has the systematic name of 2-tert-butoxy-1-[(3S)-3-(methylamino)-1-piperidyl]ethanone. And the chemical formula of this chemical is C12H24N2O2.
Physical properties of 1-Piperidinecarboxylicacid, 3-(methylamino)-, 1,1-dimethylethyl ester,(3S)-: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.727; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 41.57 Å2; (11)Index of Refraction: 1.485; (12)Molar Refractivity: 64.937 cm3; (13)Molar Volume: 226.745 cm3; (14)Polarizability: 25.743×10-24cm3; (15)Surface Tension: 36.01 dyne/cm; (16)Enthalpy of Vaporization: 58.4 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OCC(=O)N1CCC[C@@H](C1)NC
(2)InChI: InChI=1/C12H24N2O2/c1-12(2,3)16-9-11(15)14-7-5-6-10(8-14)13-4/h10,13H,5-9H2,1-4H3/t10-/m0/s1
(3)InChIKey: XZORYOUMGLGUEA-JTQLQIEIBX
(4)Std. InChI: InChI=1S/C12H24N2O2/c1-12(2,3)16-9-11(15)14-7-5-6-10(8-14)13-4/h10,13H,5-9H2,1-4H3/t10-/m0/s1
(5)Std. InChIKey: XZORYOUMGLGUEA-JTQLQIEISA-N
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