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CAS No.: | 110484-18-9 |
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Name: | 1-(2-AMINOETHYL)-4-PIPERIDINOL 2HCL |
Molecular Structure: | |
Formula: | C7H18Cl2N2O |
Molecular Weight: | 180.678 |
Synonyms: | 4-Piperidinol,1-(2-aminoethyl)-, dihydrochloride (9CI);1-(2-Aminoethyl)-4-piperidinol dihydrochloride; |
Melting Point: | 186-188 °C |
Boiling Point: | 339.4 °C at 760 mmHg |
Flash Point: | 159.1 °C |
PSA: | 49.49000 |
LogP: | 1.64400 |
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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