1,4,6-Androstatrien-3,17-dione CAS NO.633-35-2

The Androsta-1,4,6-triene-3,17-dione, with the CAS registry number 633-35-2, is also known as 1,4,6-Androstatrien-3,17-dione. It belongs to the product categories of Various Metabolites and Impurities; Metabolites & Impurities; Steroids. This chemical's molecular formula is C₁₉H₂₂O₂ and molecular weight is 282.16198. Its IUPAC name is called (8R,9S,10R,13S,14S)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione. This chemical's classification codes are Enzyme inhibitors and Reproductive Effect. When you are using this chemical, please be cautious about it. You should not breathe its dust. You must avoid contacting it with skin and eyes.

Physical properties of Androsta-1,4,6-triene-3,17-dione: (1)ACD/LogP: 2.52; (2)ACD/LogD (pH 5.5): 2.52; (3)ACD/LogD (pH 7.4): 2.52; (4)ACD/BCF (pH 5.5): 48.67; (5)ACD/BCF (pH 7.4): 48.67; (6)ACD/KOC (pH 5.5): 561.47; (7)ACD/KOC (pH 7.4): 561.47; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.587; (10)Molar Refractivity: 81.53 cm³; (11)Molar Volume: 242.5 cm³; (12)Surface Tension: 45.2 dyne/cm; (13)Density: 1.16 g/cm³; (14)Flash Point: 168.7 °C; (15)Enthalpy of Vaporization: 71.21 kJ/mol; (16)Boiling Point: 452.8 °C at 760 mmHg; (17)Vapour Pressure: 2.17E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\4\C=C/[C@]3(C(/C=C\[C@H]2[C@H]1[C@@](C(=O)CC1)(CC[C@@H]23)C)=C/4)C
(2)InChI: InChI=1/C19H22O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,7,9,11,14-16H,5-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
(3)InChIKey: DKVSUQWCZQBWCP-QAGGRKNEBB

The Androsta-1,4,6-triene-3,17-dione, with the CAS registry number 633-35-2, is also known as 1,4,6-Androstatrien-3,17-dione. It belongs to the product categories of Various Metabolites and Impurities; Metabolites & Impurities; Steroids. This chemical's molecular formula is C₁₉H₂₂O₂ and molecular weight is 282.16198. Its IUPAC name is called (8R,9S,10R,13S,14S)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione. This chemical's classification codes are Enzyme inhibitors and Reproductive Effect. When you are using this chemical, please be cautious about it. You should not breathe its dust. You must avoid contacting it with skin and eyes.

Physical properties of Androsta-1,4,6-triene-3,17-dione: (1)ACD/LogP: 2.52; (2)ACD/LogD (pH 5.5): 2.52; (3)ACD/LogD (pH 7.4): 2.52; (4)ACD/BCF (pH 5.5): 48.67; (5)ACD/BCF (pH 7.4): 48.67; (6)ACD/KOC (pH 5.5): 561.47; (7)ACD/KOC (pH 7.4): 561.47; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.587; (10)Molar Refractivity: 81.53 cm³; (11)Molar Volume: 242.5 cm³; (12)Surface Tension: 45.2 dyne/cm; (13)Density: 1.16 g/cm³; (14)Flash Point: 168.7 °C; (15)Enthalpy of Vaporization: 71.21 kJ/mol; (16)Boiling Point: 452.8 °C at 760 mmHg; (17)Vapour Pressure: 2.17E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\4\C=C/[C@]3(C(/C=C\[C@H]2[C@H]1[C@@](C(=O)CC1)(CC[C@@H]23)C)=C/4)C
(2)InChI: InChI=1/C19H22O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,7,9,11,14-16H,5-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
(3)InChIKey: DKVSUQWCZQBWCP-QAGGRKNEBB