Piperidin-3-one hydrochloride supplier

Name
PIPERIDIN-3-ONE HYDROCHLORIDE
EINECS
CAS No. 61644-00-6
Article Data5
CAS DataBase
Density
Solubility
Melting Point
Formula C₅H₁₀ClNO
Boiling Point 220 °C at 760 mmHg
Molecular Weight 135.594
Flash Point 86.8 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 37/38-41
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Piperidinone,hydrochloride (9CI);
PSA 29.10000
LogP 1.06970

Piperidin-3-one hydrochloride Specification

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

Product Name

PIPERIDIN-3-ONE HYDROCHLORIDE

Piperidin-3-one hydrochloride Specification

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