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41361-28-8

Basic Information
CAS No.: 41361-28-8
Name: 1-ETHYL-3-PIPERIDONE HYDROCHLORIDE
Article Data: 1
Molecular Structure:
Molecular Structure of 41361-28-8 (1-ETHYL-3-PIPERIDONE HYDROCHLORIDE)
Formula: C7H14ClNO
Molecular Weight: 163.647
Synonyms: 3-Piperidinone,1-ethyl-, hydrochloride (9CI);1-Ethyl-3-piperidinone hydrochloride;1-Ethyl-3-piperidone hydrochloride;
EINECS: 255-333-6
Melting Point: 178-180 °C(lit.)
Boiling Point: 228.9 °C at 760 mmHg
Flash Point: 92.2 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26-36/37
PSA: 20.31000
LogP: 1.41110
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Specification

The 3-Piperidinone,1-ethyl-, hydrochloride (1:1) is an organic compound with the formula C7H14ClNO. The IUPAC name of this chemical is 1-ethylpiperidin-3-one hydrochloride. With the CAS registry number 41361-28-8, it is also named as 1-ethylpiperidin-3-one, chloride. The product's categories are API Intermediates; Building Blocks; Heterocyclic Building Blocks; Piperidones. Besides, it should be stored in a closed cool and dry place.

Physical properties about 3-Piperidinone,1-ethyl-, hydrochloride (1:1) are: (1)ACD/LogP: 0.21; (2)ACD/LogD (pH 7.4): 0.02; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 20.13; (7)#H bond acceptors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 20.31 Å2; (10)Flash Point: 92.2 °C; (11)Enthalpy of Vaporization: 47.5 kJ/mol; (12)Boiling Point: 228.9 °C at 760 mmHg; (13)Vapour Pressure: 0.0582 mmHg at 25°C.

Uses of 3-Piperidinone,1-ethyl-, hydrochloride (1:1): it can be used to produce N1-(1-ethyl-piperidin-3-yl)-N4-[6-methoxy-4-methyl-5-(3-trifluoromethyl-phenoxy)-quinolin-8-yl]-pentane-1,4-diamine. It will need reagent H2, triethylamine, catalyst platinum oxide and solvent ethanol with reaction time of 20 hours. The yield is about 72%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C1CN(CC)CCC1
(2)InChI: InChI=1/C7H13NO.ClH/c1-2-8-5-3-4-7(9)6-8;/h2-6H2,1H3;1H
(3)InChIKey: JLBJGYHSFYAUDJ-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H13NO.ClH/c1-2-8-5-3-4-7(9)6-8;/h2-6H2,1H3;1H
(5)Std. InChIKey: JLBJGYHSFYAUDJ-UHFFFAOYSA-N