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CAS No.: | 1260883-24-6 |
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Name: | 4-Aminopiperidin-2-one hydrochloride |
Molecular Structure: | |
Formula: | C5H11ClN2O |
Molecular Weight: | 150.6066 |
Synonyms: | 4-Aminopiperidin-2-one hydrochloride (1:1) |
Boiling Point: | 329.2 °C at 760 mmHg |
Flash Point: | 152.9 °C |
PSA: | 55.12000 |
LogP: | 1.05480 |
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The 4-Aminopiperidin-2-one hydrochloride, with the CAS registry number 1260883-24-6, is also known as 2-piperidinone, 4-amino-, hydrochloride (1:1). Its molecular formula is C5H11ClN2O and its molecular weight is 150.6066.
Other characteristics of the 4-Aminopiperidin-2-one hydrochloride can be summarised as followings: (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): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 55.12 Å2; (10)Flash Point: 152.9 °C; (11)Enthalpy of Vaporization: 58.3 kJ/mol; (12)Boiling Point: 329.2 °C at 760 mmHg; (13)Vapour Pressure: 0.00013 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cl.O=C1CC(N)CCN1
2.InChI: InChI=1/C5H10N2O.ClH/c6-4-1-2-7-5(8)3-4;/h4H,1-3,6H2,(H,7,8);1H
3.InChIKey: CCWIFZGLLVKIRH-UHFFFAOYAG