21-Amino-17-hydroxypregn-4-ene-3,11,20-trione hydrochloride supplier

Name
21-Amino-17-hydroxypregn-4-ene-3,11,20-trione hydrochloride
EINECS
CAS No. 110428-56-3
Density
Solubility
Melting Point
Formula C₂₁H₃₀ClNO₄
Boiling Point 576 °C at 760 mmHg
Molecular Weight 395.92
Flash Point 302.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 21-Amino-17-hydroxypregn-4-ene-3,11,20-trione hydrochloride
PSA 97.46000
LogP 3.45850

21-Amino-17-hydroxypregn-4-ene-3,11,20-trione hydrochloride Specification

The 21-Amino-17-hydroxypregn-4-ene-3,11,20-trione hydrochloride, with the CAS registry number 110428-56-3, is also known as Pregn-4-ene-3,11,20-trione, 21-amino-17-hydroxy-, hydrochloride (1:1). What's more, this chemical's molecular formula is C₂₁H₃₀ClNO₄ and molecular weight is 395.92.

Physical properties about 21-Amino-17-hydroxypregn-4-ene-3,11,20-trione hydrochloride are: (1)ACD/LogP: 1.146; (2)# of Rule of 5 Violations: 0; (3) ACD/LogD (pH 7.4): 0.97; (4)#H bond acceptors: 5; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 97.46 Å²; (8)Flash Point: 302.1 °C; (9)Enthalpy of Vaporization: 99.06 kJ/mol; (10)Boiling Point: 576 °C at 760 mmHg; (11)Vapour Pressure: 1.15E-15 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CN)O)C.Cl
(2) InChI: InChI=1S/C21H29NO4.ClH/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19;/h9,14-15,18,26H,3-8,10-11,22H2,1-2H3;1H/t14-,15-,18+,19-,20-,21-;/m0./s1
(3) InChIKey: QXNKZQSPNGXLGY-HNGAPHHWSA-N

Product Name

21-Amino-17-hydroxypregn-4-ene-3,11,20-trione hydrochloride

21-Amino-17-hydroxypregn-4-ene-3,11,20-trione hydrochloride Specification

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