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4-Piperidinol,1-(2-aminoethyl)-, hydrochloride (1:2)

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Name

4-Piperidinol,1-(2-aminoethyl)-, hydrochloride (1:2)

EINECS N/A
CAS No. 110484-18-9 Density N/A
PSA 49.49000 LogP 1.64400
Solubility N/A Melting Point 186-188 °C
Formula C7H18Cl2N2O Boiling Point 339.4 °C at 760 mmHg
Molecular Weight 180.678 Flash Point 159.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 110484-18-9 (1-(2-AMINOETHYL)-4-PIPERIDINOL 2HCL) Hazard Symbols N/A
Synonyms

4-Piperidinol,1-(2-aminoethyl)-, dihydrochloride (9CI);1-(2-Aminoethyl)-4-piperidinol dihydrochloride;

 

4-Piperidinol,1-(2-aminoethyl)-, hydrochloride (1:2) Specification

The 4-Piperidinol,1-(2-aminoethyl)-, hydrochloride (1:2), with the CAS registry number 110484-18-9, is also known as 1-(2-Aminoethyl)-4-piperidinol dihydrochloride. This chemical's molecular formula is C7H18Cl2N2O and molecular weight is 217.14. What's more, its IUPAC name is called 1-(2-Aminoethyl)piperidin-4-ol dihydrochloride.

Physical properties about 4-Piperidinol,1-(2-aminoethyl)-, hydrochloride (1:2) are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1.00 ACD/BCF (pH 7.4): 1.00; (3)ACD/KOC (pH 5.5): 1.00 ACD/KOC (pH 7.4): 1.00; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 49.49 Å2; (7)Flash Point: 159.1 °C; (8)Enthalpy of Vaporization: 67.52 kJ/mol; (9)Boiling Point: 339.4 °C at 760 mmHg; (10)Vapour Pressure: 6.15E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Cl.NCCN1CCC(O)CC1
(2) InChI: InChI=1S/C7H16N2O.2ClH/c8-3-6-9-4-1-7(10)2-5-9;;/h7,10H,1-6,8H2;2*1H
(3) InChIKey: PTVCQOBFIIVVNE-UHFFFAOYSA-N

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