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CAS No.: | 61644-00-6 |
---|---|
Name: | PIPERIDIN-3-ONE HYDROCHLORIDE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C5H10ClNO |
Molecular Weight: | 135.594 |
Synonyms: | 3-Piperidinone,hydrochloride (9CI); |
Boiling Point: | 220 °C at 760 mmHg |
Flash Point: | 86.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 37/38-41 |
Safety: | 26-39 |
PSA: | 29.10000 |
LogP: | 1.06970 |
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The 3-Piperidinone, hydrochloride (1:1), with the CAS registry number of 61644-00-6, is also known as 3-Piperidone hydrochloride. This chemical's molecular formula is C5H10ClNO and molecular weight is 135.59. What's more, its systematic name is called Piperidin-3-one hydrochloride (1:1). Besides, it should stored at 0-5 °C.
Physical properties about 3-Piperidinone, hydrochloride (1:1) are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 2; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 29.1 Å2; (10)Flash Point: 86.8 °C; (11)Enthalpy of Vaporization: 46.57 kJ/mol; (12)Boiling Point: 220 °C at 760 mmHg; (13)Vapour Pressure: 0.0954 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C1CNCCC1
(2) InChI: InChI=1/C5H9NO.ClH/c7-5-2-1-3-6-4-5;/h6H,1-4H2;1H
(3) InChIKey: KDHKOJFFKXGPKZ-UHFFFAOYAB