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CAS No.: | 6328-93-4 |
---|---|
Name: | 1-PHENYLPIPERIDIN-4-ONE HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C11H14ClNO |
Molecular Weight: | 211.691 |
Synonyms: | 4-Piperidinone,1-phenyl-, hydrochloride (9CI); |
Melting Point: | 145-147℃ |
Boiling Point: | 312.9 °C at 760 mmHg |
Flash Point: | 124.1 °C |
Hazard Symbols: | Xi |
PSA: | 20.31000 |
LogP: | 2.72290 |
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The 4-Piperidinone,1-phenyl-, hydrochloride (1:1), with the CAS registry number 6328-93-4, is also known as NSC44020. This chemical's molecular formula is C11H14ClNO and molecular weight is 211.688. Its IUPAC name is called 1-phenylpiperidin-4-one chloride. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 4-Piperidinone,1-phenyl-, hydrochloride (1:1): (1)ACD/LogP: 0.96; (2)ACD/LogD (pH 5.5): 0.79; (3)ACD/LogD (pH 7.4): 0.96; (4)ACD/BCF (pH 5.5): 2.12; (5)ACD/BCF (pH 7.4): 3.14; (6)ACD/KOC (pH 5.5): 53.22; (7)ACD/KOC (pH 7.4): 78.82; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Flash Point: 124.1 °C; (11)Enthalpy of Vaporization: 55.39 kJ/mol; (12)Boiling Point: 312.9 °C at 760 mmHg; (13)Vapour Pressure: 0.000514 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCC1=O)C2=CC=CC=C2.[Cl-]
(2)InChI: InChI=1S/C11H13NO.ClH/c13-11-6-8-12(9-7-11)10-4-2-1-3-5-10;/h1-5H,6-9H2;1H/p-1
(3)InChIKey: HJEBZLGYRSNAAP-UHFFFAOYSA-M