-
Name
9(10)-Dehydronandrolone
- EINECS
- CAS No. 6218-29-7
- Article Data22
- CAS DataBase
- Density 1.17g/cm3
- Solubility 53mg/L at 20℃
- Melting Point 190°C(lit.)
- Formula C18H24O2
- Boiling Point 466.823 °C at 760 mmHg
- Molecular Weight 272.387
- Flash Point 198.572 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Estra-4,9-dien-3-one,17b-hydroxy- (6CI,7CI,8CI);17b-Hydroxyestra-4,9-dien-3-one;3-Oxo-4,9-estradien-17b-ol;4,9-Estradien-17b-ol-3-one;9,10-Dehydro-19-nortestosterone;RU 3118;
- PSA 37.30000
- LogP 3.16320
9(10)-Dehydronandrolone Specification
The Estra-4,9-dien-3-one,17-hydroxy-, (17b)-, with CAS registry number 6218-29-7, has the systematic name of (13S)-17-hydroxy-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one. And the chemical formula of this chemical is C18H24O2.
Physical properties of Estra-4,9-dien-3-one,17-hydroxy-, (17b)-: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.231; (4)ACD/LogD (pH 7.4): 3.231; (5)ACD/BCF (pH 5.5): 168.147; (6)ACD/BCF (pH 7.4): 168.147; (7)ACD/KOC (pH 5.5): 1363.815; (8)ACD/KOC (pH 7.4): 1363.815; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 77.951 cm3; (15)Molar Volume: 232.726 cm3; (16)Polarizability: 30.902×10-24cm3; (17)Surface Tension: 47.037 dyne/cm; (18)Enthalpy of Vaporization: 84.022 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C[C@]12CCC3=C4CCC(=O)C=C4CCC3C1CCC2O
(2)InChI: InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-17,20H,2-9H2,1H3/t15?,16?,17?,18-/m0/s1
(3)InChIKey: PUQSDJZESAQGQS-HLYMMOCJBJ
(4)Std. InChI: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-17,20H,2-9H2,1H3/t15?,16?,17?,18-/m0/s1
(5)Std. InChIKey: PUQSDJZESAQGQS-HLYMMOCJSA-N
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