-
Name
(2S)-Butan-2-yl 2-(3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl)acetate
- EINECS
- CAS No. 335148-45-3
- Density 1.580±0.06 g/cm3(Predicted)
- Solubility
- Melting Point
- Formula C27H31I2NO5
- Boiling Point 672.2±55.0 °C(Predicted)
- Molecular Weight 703.356
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms BUDIODARONE;Budiodarone (USAN/INN);
- PSA 68.98000
- LogP 6.47780
(2S)-Butan-2-yl 2-(3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl)acetate Chemical Properties
Molecular Structure of (2S)-Butan-2-yl 2-(3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl)acetate (CAS No.335148-45-3):
Molecular Formula: C27H31I2NO5
Molecular Weight: 703.35
CAS No: 335148-45-3
H bond acceptors: 6
H bond donors: 0
Freely Rotating Bonds: 13
Polar Surface Area: 68.98 Å2
Index of Refraction: 1.615
Molar Refractivity: 155.38 cm3
Molar Volume: 445 cm3
Surface Tension: 48.5 dyne/cm
Density: 1.58 g/cm3
Flash Point: 360.4 °C
Enthalpy of Vaporization: 98.75 kJ/mol
Boiling Point: 672.2 °C at 760 mmHg
Vapour Pressure: 6.21E-18 mmHg at 25°C
InChI: InChI=1/C27H31I2NO5/c1-5-17(4)34-24(31)16-23-25(19-10-8-9-11-22(19)35-23)26(32)18-14-20(28)27(21(29)15-18)33-13-12-30(6-2)7-3/h8-11,14-15,17H,5-7,12-13,16H2,1-4H3
InChIKey: ZXOSVKYCXLTVGS-UHFFFAOYAK
Std. InChI: InChI=1S/C27H31I2NO5/c1-5-17(4)34-24(31)16-23-25(19-10-8-9-11-22(19)35-23)26(32)18-14-20(28)27(21(29)15-18)33-13-12-30(6-2)7-3/h8-11,14-15,17H,5-7,12-13,16H2,1-4H3
Std. InChIKey: ZXOSVKYCXLTVGS-UHFFFAOYSA-N
(2S)-Butan-2-yl 2-(3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl)acetate Specification
(2S)-Butan-2-yl 2-(3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl)acetate (CAS No.335148-45-3), its synonyms are (1S)-1-Methylpropyl 2-(3-(4-(2-(diethylamino)ethoxy)-3,5-diiodobenzoyl)benzofuran-2- ; Budiodarone .
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