Basic information
- Name:
2-Piperidinone,4-amino-
- Superlist Name:
- 4-Amino-2-piperidinone
- CAS No.:
5513-66-6
- Molecular Structure:
- Formula:
- C5H10N2O
- Molecular Weight:
- 114.15
- Synonyms:
- 4-Aminopiperidin-2-on;
- Density:
- 1.071 g/cm3
- Boiling Point:
- 307.466 °C at 760 mmHg
- Flash Point:
- 139.751 °C
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Specification
The 4-Amino-2-piperidinone is an organic compound with the formula C5H10N2O. The IUPAC name of this chemical is 4-aminopiperidin-2-one. With the CAS registry number 5513-66-6, it is also named as 2-piperidinone, 4-amino-. This chemical must be sealed in the container and avoid direct sunshine.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.477; (11)Molar Refractivity: 30.09 cm3; (12)Molar Volume: 106.556 cm3; (13)Polarizability: 11.929×10-24 cm3; (14)Surface Tension: 36.41 dyne/cm; (15)Enthalpy of Vaporization: 54.807 kJ/mol; (16)Boiling Point: 307.466 °C at 760 mmHg; (17)Vapour Pressure: 0.001 mmHg at 25°C; (18)Tautomer Count: 3; (19)Exact Mass: 114.079313; (20)MonoIsotopic Mass: 114.079313; (21)Topological Polar Surface Area: 55.1; (22)Heavy Atom Count: 8; (23)Complexity: 103.
People can use the following data to convert to the molecule structure.
1. SMILES: O=C1CC(N)CCN1;
2. InChI: InChI=1/C5H10N2O/c6-4-1-2-7-5(8)3-4/h4H,1-3,6H2,(H,7,8);
3. InChIKey: SLZBOFGNZPNOOK-UHFFFAOYAP.
