IUPAC Name: 3-(2-methylpiperidin-1-yl)propyl 4-(2-methylpropoxy)benzoate
Empirical Formula: C20H31NO3
Molecular Weight: 333.465g/mol
Index of Refraction: 1.504
Molar Refractivity: 97.17 cm3
Molar Volume: 327.7 cm3
Polarizability: 38.52×10-24cm3
Surface Tension: 35.7 dyne/cm
Density: 1.017 g/cm3
Flash Point: 222.7 °C
Enthalpy of Vaporization: 70.24 kJ/mol
Boiling Point: 444.6 °C at 760 mmHg
Vapour Pressure: 4.24E-08 mmHg at 25°C
Canonical SMILES: CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)OCC(C)C
InChI: InChI=1S/C20H31NO3/c1-16(2)15-24-19-10-8-18(9-11-19)20(22)23-14-6-13-21-
12-5-4-7-17(21)3/h8-11,16-17H,4-7,12-15H2,1-3H3
InChIKey: LDHRPGPXSCBURF-UHFFFAOYSA-N
Structure of 3-(2'-Methylpiperidino)propyl p-isobutoxybenzoate (CAS NO.63916-90-5):
1. | scu-mus LD50:161 mg/kg | RCPRAN Record of Chemical Progress. 15 (1954),143. | ||
2. | ivn-mus LD50:32 mg/kg | RCPRAN Record of Chemical Progress. 15 (1954),143. |
A poison by subcutaneous and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
3-(2'-Methylpiperidino)propyl p-isobutoxybenzoate , its cas register number is 63916-90-5. It also can be called Benzoic acid, p-isobutoxy-, 3-(2'-methylpiperidino)propyl ester .When heated to decomposition it emits toxic fumes of NOx.
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