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CAS No.: | 62813-01-8 |
---|---|
Name: | 1-Cyclopropylpiperidin-4-one |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C8H13NO |
Molecular Weight: | 139.197 |
Synonyms: | 1-Cyclopropyl-4-piperidinone;1-Cyclopropyl-4-piperidone;1-Cyclopropyltetrahydro-4(1H)-pyridinone; |
EINECS: | 1533716-785-6 |
Density: | 1.151 g/cm3 |
Melting Point: | 135-140°C(lit.) |
Boiling Point: | 234.271 °C at 760 mmHg |
Flash Point: | 88.813 °C |
Hazard Symbols: | Xn,Xi |
Risk Codes: | R36/37/38; R22 |
PSA: | 20.31000 |
LogP: | 0.75160 |
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The cas register number of 1-Cyclopropylpiperidin-4-one is 62813-01-8. It also can be called as 4-Piperidinone,1-cyclopropyl- and the Systematic name about this chemical is 1-cyclopropylpiperidin-4-one.
Physical properties about 1-Cyclopropylpiperidin-4-one are: (1)ACD/LogP: 0.32; (2)ACD/LogD (pH 5.5): -3; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 4; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 20.31Å2; (11)Index of Refraction: 1.552; (12)Molar Refractivity: 38.634 cm3; (13)Molar Volume: 120.904 cm3; (14)Polarizability: 15.316x10-24cm3; (15)Surface Tension: 49.57 dyne/cm; (16)Enthalpy of Vaporization: 47.101 kJ/mol; (17)Boiling Point: 234.271 °C at 760 mmHg; (18)Vapour Pressure: 0.053 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCN(CC1)C2CC2
(2)InChI: InChI=1/C8H13NO/c10-8-3-5-9(6-4-8)7-1-2-7/h7H,1-6H2
(3)InChIKey: DTUJRJIWGWTNFQ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H13NO/c10-8-3-5-9(6-4-8)7-1-2-7/h7H,1-6H2
(5)Std. InChIKey: DTUJRJIWGWTNFQ-UHFFFAOYSA-N