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Name
1,2-DIHYDRO-5-METHOXY-2-OXO-SPIRO[3H-INDOLE-3,4'-PIPERIDINE]-1'-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER
- EINECS
- CAS No. 752234-64-3
- Article Data2
- CAS DataBase
- Density 1.23 g/cm3
- Solubility
- Melting Point
- Formula C18H24N2O4
- Boiling Point 512.4 °C at 760 mmHg
- Molecular Weight 332.4
- Flash Point 263.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 1'-Boc-1,2-Dihydro-5-methoxy-2-oxo-spiro[3H-indole-3,4'-piperidine];tert-Butyl 5-methoxy-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate;
- PSA 67.87000
- LogP 2.99190
Spiro[3H-indole-3,4'-piperidine]-1'-carboxylicacid,1,2-dihydro-5-methoxy-2-oxo-,1,1-dimethylethyl ester Specification
The Spiro[3H-indole-3,4'-piperidine]-1'-carboxylicacid,1,2-dihydro-5-methoxy-2-oxo-,1,1-dimethylethyl ester with CAS registry number of 752234-64-3 is also called tert-Butyl 5-methoxy-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate. Its systematic name is tert-butyl 5-methoxy-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate.
Physical properties about this chemical are: (1) ACD/LogP: 2.70; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.7; (4) ACD/LogD (pH 7.4): 2.7; (5) ACD/BCF (pH 5.5): 66.14; (6) ACD/BCF (pH 7.4): 66.15; (7) ACD/KOC (pH 5.5): 699.29; (8) ACD/KOC (pH 7.4): 699.4; (9) #H bond acceptors: 6; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 67.87 Å2; (13) Index of Refraction: 1.578; (14) Molar Refractivity: 89.48 cm3; (15) Molar Volume: 269.2 cm3; (16) Polarizability: 35.47×10-24 cm3; (17) Surface Tension: 51.1 dyne/cm; (18) Density: 1.23 g/cm3; (19) Flash Point: 263.7 °C; (20) Enthalpy of Vaporization: 78.35 kJ/mol; (21) Boiling Point: 512.4 °C at 760 mmHg; (22) Vapour Pressure: 1.3E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N1CCC3(CC1)C(=O)Nc2ccc(OC)cc23;
(2) InChI: InChI=1/C18H24N2O4/c1-17(2,3)24-16(22)20-9-7-18(8-10-20)13-11-12(23-4)5-6-14(13)19-15(18)21/h5-6,11H,7-10H2,1-4H3,(H,19,21);
(3) InChIKey: ICAYJBMICZNBCC-UHFFFAOYAS;
(4) Std. InChI: InChI=1S/C18H24N2O4/c1-17(2,3)24-16(22)20-9-7-18(8-10-20)13-11-12(23-4)5-6-14(13)19-15(18)21/h5-6,11H,7-10H2,1-4H3,(H,19,21);
(5) Std. InChIKey: ICAYJBMICZNBCC-UHFFFAOYSA-N
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