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1-tert-Butyl-4-piperidone

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Name

1-tert-Butyl-4-piperidone

EINECS 215-982-8
CAS No. 1465-76-5 Density 0.968 g/cm3
PSA 20.31000 LogP 1.38770
Solubility N/A Melting Point 92-94 °C (sublm)(Press: 10 Torr)
Formula C9H17NO Boiling Point 225 °C at 760 mmHg
Molecular Weight 155.24 Flash Point 83.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1465-76-5 (1-TERT-BUTYL-PIPERIDIN-4-ONE) Hazard Symbols IrritantXi
Synonyms

4-Piperidone,1-tert-butyl- (7CI,8CI);1-(1,1-Dimethylethyl)-4-piperidinone;1-tert-Butyl-4-oxopiperidine;1-tert-Butyl-4-piperidinone;1-tert-Butyl-4-piperidone;N-tert-Butyl-4-piperidone;

Article Data 24

1-tert-Butyl-4-piperidone Specification

This chemical is called 1-tert-Butyl-4-piperidone, and its CAS registry number is 1465-76-5. With the molecular formula of C9H17NO, its molecular weight is 155.24. Additionally, its product categories are Amines; Blocks.

Other characteristics of the 1-tert-Butyl-4-piperidone can be summarised as followings: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.72; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 8.79; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 44.95 cm3; (15)Molar Volume: 160.2 cm3; (16)Polarizability: 17.81×10-24cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 0.968 g/cm3; (19)Flash Point: 83.5 °C; (20)Enthalpy of Vaporization: 46.15 kJ/mol; (21)Boiling Point: 225 °C at 760 mmHg; (22)Vapour Pressure: 0.0883 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1CCN(C(C)(C)C)CC1
2.InChI: InChI=1/C9H17NO/c1-9(2,3)10-6-4-8(11)5-7-10/h4-7H2,1-3H3
3.InChIKey: NKPMJJGLSFUOPK-UHFFFAOYAA

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