- Pipendoxifene
- Pipendoxifene hydrochloride hydrate
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Cas Database |
| Name |
Pipendoxifene hydrochloride hydrate |
EINECS | N/A |
| CAS No. | 389125-71-7 | Density | N/A |
| PSA | 67.09000 | LogP | 6.61650 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C29H32N2O3.HCl.H2O | Boiling Point | 685.8 °C at 760 mmHg |
| Molecular Weight | 511.05 | Flash Point | 368.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1H-Indol-5-ol,2-(4-hydroxyphenyl)-3-methyl-1-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-,monohydrochloride, monohydrate (9CI);Pipindoxifene hydrochloride monohydrate; |
Article Data | 2 |
Pipendoxifene hydrochloride hydrate Specification
The Pipendoxifene hydrochloride hydrate with the CAS number 389125-71-7 is also called 1H-Indol-5-ol,2-(4-hydroxyphenyl)-3-methyl-1-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-,hydrochloride, hydrate (1:1:1). The systematic name is 2-(4-hydroxyphenyl)-3-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]benzyl}-1H-indol-5-ol hydrochloride hydrate. Its molecular formula is C29H32N2O3.HCl.H2O.
The properties of the Pipendoxifene hydrochloride hydrate are: (1)ACD/LogP: 5.88; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 35.86 Å2; (7)Flash Point: 368.6 °C; (8)Enthalpy of Vaporization: 104.18 kJ/mol; (9)Boiling Point: 685.8 °C at 760 mmHg; (10)Vapour Pressure: 1.93×10-19 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O(c1ccc(cc1)Cn4c2ccc(O)cc2c(c4c3ccc(O)cc3)C)CCN5CCCCC5.O
(2)InChI: InChI=1/C29H32N2O3.ClH.H2O/c1-21-27-19-25(33)11-14-28(27)31(29(21)23-7-9-24(32)10-8-23)20-22-5-12-26(13-6-22)34-18-17-30-15-3-2-4-16-30;;/h5-14,19,32-33H,2-4,15-18,20H2,1H3;1H;1H2
(3)InChIKey: HDPJXUURTCSOST-UHFFFAOYAJ
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