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Name
5a-Androstanedione
- EINECS 212-685-5
- CAS No. 846-46-8
- Article Data146
- CAS DataBase
- Density 1.079 g/cm3
- Solubility 63.46mg/L(25 oC)
- Melting Point 142°C
- Formula C19H28O2
- Boiling Point 411.2 °C at 760 mmHg
- Molecular Weight 288.43
- Flash Point 153.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 5a-Androstane-3,17-dione (8CI);5a-Androstanedione (7CI);5a-Androsta-3,17-dione;Androstane-3,17-dione;Dihydroandrostenedione;NSC 60796;NSC 9897;
- PSA 34.14000
- LogP 4.16730
5a-Androstanedione Specification
The 5a-Androstanedione ,its cas register number is 846-46-8.It also can be called as Androstane-3,17-dione, (5alpha)- and the IUPAC name about this chemical is (5S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione .It belongs to the Steroids. WGK Germany about this chemical is 3. It has a other registry number is 358657-76-8.
Following are the chemical properties about 5a-Androstanedione :(1)#H bond acceptors: 2 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 0 ; (4)Polar Surface Area: 34.14Å2 ; (5)Index of Refraction: 1.526 ; (6)Molar Refractivity: 82.03 cm3 ; (7)Molar Volume: 267.1 cm3 ; (8)Polarizability: 32.52x10-24cm3 ; (9)Surface Tension: 39 dyne/cm ; (10)Enthalpy of Vaporization: 66.37 kJ/mol ; (11)Vapour Pressure: 5.68E-07 mmHg at 25°C
This chemical can be described computed from structure:
(1)Canonical SMILES: CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4=O)C
(2)Isomeric SMILES: CC12CCC(=O)C[C@@H]1CCC3C2CCC4(C3CCC4=O)C
(3)InChI: InChI=1S/C19H28O2/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/h12,14-16H,3-11H2,1-2H3/t12-,14?,15?,16?,18?,19?/m0/s1
(4)InChIKey: RAJWOBJTTGJROA-PLFHKJOISA-N
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