- Pregn-4-ene-3,11,20-trione,6,17,21-trihydroxy-, (6b)-
- Pregn-4-ene-3,20-dione hydrochloride
- Pregn-4-ene-3,20-dione, 6-alpha-fluoro-
- Pregn-4-ene-3,20-dione,11,17,21-trihydroxy-
- Pregn-4-ene-3,20-dione,11-hydroxy-, (11b)-
- Pregn-4-ene-3,20-dione,11-hydroxy-, (11α)-
- Pregn-4-ene-3,20-dione,18,21-dihydroxy-
- Pregn-4-ene-3,20-dione,6,11,17,21-tetrahydroxy-, (11β)- (9CI)
- Pregn-4-ene-3,20-dione,9,11-epoxy-17,21-dihydroxy-, (9b,11b)- (9CI)
- Pregn-4-ene-3,6,20-trione
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| Name |
Pregn-4-ene-3,20-dione hydrochloride |
EINECS | N/A |
| CAS No. | 73489-90-4 | Density | N/A |
| PSA | 34.14000 | LogP | 5.52550 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C21H30O2.HCl | Boiling Point | 473.7 °C at 760 mmHg |
| Molecular Weight | 350.92 | Flash Point | 240.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Pregn-4-ene-3,20-dione hydrochloride; |
Pregn-4-ene-3,20-dione hydrochloride Specification
The Pregn-4-ene-3,20-dione hydrochloride with the CAS number 73489-90-4 is also called Pregn-4-ene-3,20-dione,21-amino-11,17-dihydroxy-, hydrochloride, (11b)- (9CI). Its molecular formula is C21H30O2.HCl. This chemical should be stored in dry and cool environment.
The properties of the Pregn-4-ene-3,20-dione hydrochloride are: (1)ACD/LogP: 4.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.04; (4)ACD/LogD (pH 7.4): 4.04; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 34.14 Å2; (9)Enthalpy of Vaporization: 75.09 kJ/mol; (10)Vapour Pressure: 2.28×10-9 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C.Cl
(2)InChI: InChI=1/C21H30O2.ClH/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3;/h12,16-19H,4-11H2,1-3H3;1H/t16-,17+,18-,19-,20-,21+;/m0./s1
(3)InChIKey: IZVGNUOKOZDHJP-XPHHJCFDBD
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