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CAS No.: | 320589-77-3 |
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Name: | 4-Piperidone hydrochloride hydrate |
Molecular Structure: | |
Formula: | C5H9 N O . Cl H . H2 O |
Molecular Weight: | 153.61 |
Synonyms: | 4-Piperidinone,hydrochloride, monohydrate (9CI); 4-Piperidone monohydrate hydrochloride |
EINECS: | 254-779-9 |
Melting Point: | 89-99℃ |
Boiling Point: | 175.1°C at 760 mmHg |
Flash Point: | 84.6°C |
Hazard Symbols: | R36/37/38:; |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 52.49000 |
LogP: | 0.18150 |
Molecular Structure of 4-Piperidone hydrochloride hydrate (CAS No.320589-77-3):
Molecular Formula: C5H9NO.HCl.H2O
Molecular Weight: 153.6073
CAS No: 320589-77-3
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 20.31 Å2
Flash Point: 84.6 °C
Enthalpy of Vaporization: 41.14 kJ/mol
Boiling Point: 175.1 °C at 760 mmHg
Vapour Pressure: 1.17 mmHg at 25°C
InChI: InChI=1/C5H9NO.HCl.H2O/c7-5-1-3-6-4-2-5;;/h6H,1-4H2;1H;1H2
InChIKey: SXWRTZOXMUOJER-UHFFFAOYAC
Std. InChI: InChI=1S/C5H9NO.HCl.H2Oc7-5-1-3-6-4-2-5;;/h6H,1-4H2;1H;1H2
Std. InChIKey: SXWRTZOXMUOJER-UHFFFAOYSA-N
4-Piperidone hydrochloride hydrate (CAS No.320589-77-3), its synonyms are 4-piperidinone, hydrochloride, hydrate (1:1:1) ; Piperidin-4-one hydrochloride hydrate ; 4,4-Piperidinediol hydrochloride ; 4-Piperidone hydrate hydrochloride ; 4-Piperidone hydrochloride hydrate