1-Benzyl-3-piperidone hydrochloride supplier

Name
1-Benzyl-3-piperidone hydrochloride
EINECS 256-646-0
CAS No. 50606-58-1
Density
Solubility
Melting Point 170 °C
Formula C₁₂H₁₆ClNO
Boiling Point 294.6 °C at 760 mmHg
Molecular Weight 225.718
Flash Point 123.3 °C
Transport Information
Appearance cream to pale brown powder
Safety 22-24/25-37/39-36-26
Risk Codes 36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms 1-Benzyl-3-piperidinone hydrochloride;1-Benzylpiperidin-3-one monohydrochloride;Monohydrochloride 1-benzylpiperidin-3-one;N-Benzyl-3-piperidone hydrochloride;1-Benzyl-3-piperidone hydrochloride hydrate;1-Benzylpiperidin-3-one hydrochloride (1:1);3-piperidinone, 1-(phenylmethyl)-, hydrochloride (1:1);
PSA 29.54000
LogP 2.52710

1-Benzyl-3-piperidone hydrochloride Specification

The 1-Benzyl-3-piperidone hydrochloride, with the CAS registry number 50606-58-1 and EINECS registry number 256-646-0, has the systematic name and IUPAC name of 1-benzylpiperidin-3-one hydrochloride. It is a kind of cream to pale brown powder, and belongs to the following product categories: Heterocycles series; API intermediates; Piperidines; Building Blocks; Heterocyclic Building Blocks. And the molecular formula of this chemical is C₁₂H₁₆ClNO. What's more, it should be stored at 2-8°C.

The physical properties of 1-Benzyl-3-piperidone hydrochloride are as followings: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4.59; (7)ACD/KOC (pH 5.5): 21.64; (8)ACD/KOC (pH 7.4): 102.25; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å²; (13)Flash Point: 123.3 °C; (14)Enthalpy of Vaporization: 53.43 kJ/mol; (15)Boiling Point: 294.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00161 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Do not breathe dust and then try to avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C2CN(Cc1ccccc1)CCC2
(2)InChI: InChI=1/C12H15NO.ClH/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11;/h1-3,5-6H,4,7-10H2;1H
(3)InChIKey: OVWSFXNSJDMRPV-UHFFFAOYAI

Product Name

1-Benzyl-3-piperidone hydrochloride

1-Benzyl-3-piperidone hydrochloride Specification

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