Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Spiro[isobenzofuran-1(3H),4'-piperidine]-1'-carboxylicacid, ethyl ester |
EINECS | N/A |
CAS No. | 42191-83-3 | Density | 1.209 g/cm3 |
PSA | 38.77000 | LogP | 2.60230 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H19NO3 | Boiling Point | 394.726 °C at 760 mmHg |
Molecular Weight | 261.321 | Flash Point | 192.524 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1'-Carbethoxyspiro[isobenzofuran-1(3H),4'-piperidine];ethyl 3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxylate;ethyl 1'H,3H-spiro[2-benzofuran-1,4'-piperidine]-1'-carboxylate; |
Article Data | 4 |
The Spiro[isobenzofuran-1(3H),4'-piperidine]-1'-carboxylicacid, ethyl ester, with the CAS registry number 42191-83-3, is also known as ethyl 3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxylate. This chemical's molecular formula is C15H19NO3 and molecular weight is 261.32. What's more, its systematic name is ethyl 1'H,3H-spiro[2-benzofuran-1,4'-piperidine]-1'-carboxylate.
Physical properties of Spiro[isobenzofuran-1(3H),4'-piperidine]-1'-carboxylicacid, ethyl ester are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 65; (6)ACD/BCF (pH 7.4): 65; (7)ACD/KOC (pH 5.5): 688; (8)ACD/KOC (pH 7.4): 688; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 71.824 cm3; (15)Molar Volume: 216.144 cm3; (16)Polarizability: 28.473×10-24 cm3; (17)Surface Tension: 49.026 dyne/cm; (18)Density: 1.209 g/cm3; (19)Flash Point: 192.524 °C; (20)Enthalpy of Vaporization: 64.479 kJ/mol; (21)Boiling Point: 394.726 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OCC)N3CCC2(OCc1c2cccc1)CC3
(2)InChI: InChI=1/C15H19NO3/c1-2-18-14(17)16-9-7-15(8-10-16)13-6-4-3-5-12(13)11-19-15/h3-6H,2,7-11H2,1H3
(3)InChIKey: LIIZLWVDCMQADD-UHFFFAOYAE