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CAS No.: | 34294-79-6 |
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Name: | (S)-3-AMINOPIPERIDINE-2-ONE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C5H10N2O |
Molecular Weight: | 114.147 |
Synonyms: | 2-Piperidone, 3-amino-, L- (8CI);2-Piperidinone,3-amino-, (S)-;(3S)-3-Amino-2-piperidinone; |
Density: | 1.071g/cm3 |
Melting Point: | 87°C(lit.) |
Boiling Point: | 307.5 °C at 760 mmHg |
Flash Point: | 139.8 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36 |
Safety: | 26 |
PSA: | 55.12000 |
LogP: | 0.25280 |
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The (S)-3-Aminopiperidine-2-one, with CAS registry number 34294-79-6, belongs to the following product categories: (1)Chiral Chemicals; (2)Chiral heterocyclic compounds. It has the systematic name of (3S)-3-aminopiperidin-2-one. And the chemical formula of this chemical is C5H10N2O.
Physical properties of (S)-3-Aminopiperidine-2-one: (1)ACD/LogP: -2.20; (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)Polar Surface Area: 23.55 Å2; (11)Index of Refraction: 1.476; (12)Molar Refractivity: 30.09 cm3; (13)Molar Volume: 106.5 cm3; (14)Polarizability: 11.92×10-24cm3; (15)Surface Tension: 36.4 dyne/cm; (16)Density: 1.071 g/cm3; (17)Flash Point: 139.8 °C; (18)Enthalpy of Vaporization: 54.81 kJ/mol; (19)Boiling Point: 307.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000723 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NCCC[C@@H]1N
(2)InChI: InChI=1/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)/t4-/m0/s1
(3)InChIKey: YCCMTCQQDULIFE-BYPYZUCNBE
(4)Std. InChI: InChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)/t4-/m0/s1
(5)Std. InChIKey: YCCMTCQQDULIFE-BYPYZUCNSA-N