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Cas Database |
| Name |
1-Piperidinecarboxylicacid, 3-cyano-4-oxo-, 1,1-dimethylethyl ester |
EINECS | N/A |
| CAS No. | 914988-10-6 | Density | 1.15 g/cm3 |
| PSA | 70.40000 | LogP | 1.27398 |
| Solubility | N/A | Melting Point |
97-99 °C |
| Formula | C11H16N2O3 | Boiling Point | 375.1 °C at 760 mmHg |
| Molecular Weight | 224.2563 | Flash Point | 180.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
tert-Butyl 3-cyano-4-oxo-1-piperidinecarboxylate;3-Cyano-4-oxo-piperidine-1-carboxylic acid tert-butyl ester; |
Article Data | 6 |
1-Piperidinecarboxylicacid, 3-cyano-4-oxo-, 1,1-dimethylethyl ester Specification
The 1-Piperidinecarboxylicacid, 3-cyano-4-oxo-, 1,1-dimethylethyl ester, with CAS registry number 914988-10-6, has the systematic name of tert-Butyl 3-cyano-4-oxopiperidine-1-carboxylate. And the chemical formula of this chemical is C11H16N2O3.
Physical properties of 1-Piperidinecarboxylicacid, 3-cyano-4-oxo-, 1,1-dimethylethyl ester: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 70.4 Å2; (6)Index of Refraction: 1.497; (7)Molar Refractivity: 56.71 cm3; (8)Molar Volume: 193.5 cm3; (9)Polarizability: 22.48×10-24cm3; (10)Surface Tension: 45.1 dyne/cm; (11)Enthalpy of Vaporization: 62.25 kJ/mol; (12)Vapour Pressure: 7.99E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC(=O)C(C1)C#N
(2)InChI: InChI=1/C11H16N2O3/c1-11(2,3)16-10(15)13-5-4-9(14)8(6-12)7-13/h8H,4-5,7H2,1-3H3
(3)InChIKey: VPFTZTMJPFIRAN-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-5-4-9(14)8(6-12)7-13/h8H,4-5,7H2,1-3H3
(5)Std. InChIKey: VPFTZTMJPFIRAN-UHFFFAOYSA-N
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