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73489-90-4

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Basic Information
CAS No.: 73489-90-4
Name: Pregn-4-ene-3,20-dione hydrochloride
Molecular Structure:
Molecular Structure of 73489-90-4 (Pregn-4-ene-3,20-dione hydrochloride)
Formula: C21H30O2.HCl
Molecular Weight: 350.92
Synonyms: Pregn-4-ene-3,20-dione hydrochloride;
Boiling Point: 473.7 °C at 760 mmHg
Flash Point: 240.3 °C
PSA: 34.14000
LogP: 5.52550
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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