1-Allyltetrahydro-4(1H)-pyridinone supplier

Name
1-Allyltetrahydro-4(1H)-pyridinone
EINECS
CAS No. 20785-46-0
Article Data6
CAS DataBase
Density 0.972 g/cm³
Solubility
Melting Point
Formula C₈H₁₃NO
Boiling Point 218.1 °C at 760 mmHg
Molecular Weight 139.19
Flash Point 79.5 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 4-Piperidinone,1-(2-propenyl)- (9CI);4-Piperidone, 1-allyl- (8CI);1-(2-Propenyl)-4-piperidone;1-(Prop-2-en-1-yl)-4-piperidone;1-Allyl-4-piperidinone;1-Allyl-4-piperidone;
PSA 20.31000
LogP 0.77520

1-Allyltetrahydro-4(1H)-pyridinone Specification

The 1-Allyltetrahydro-4(1H)-pyridinone with the CAS number 20785-46-0 is also called 4-Piperidinone,1-(2-propen-1-yl)-. The systematic name is 1-(prop-2-en-1-yl)piperidin-4-one. Its molecular formula is C₈H₁₃NO. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.25; (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): 26.5; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 20.31 Å²; (12)Index of Refraction: 1.476; (13)Molar Refractivity: 40.44 cm³; (14)Polarizability: 16.03×10^-24cm³; (15)Surface Tension: 32.3 dyne/cm; (16)Enthalpy of Vaporization: 45.45 kJ/mol; (17)Vapour Pressure: 0.128 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCN(C\C=C)CC1
(2)InChI: InChI=1/C8H13NO/c1-2-5-9-6-3-8(10)4-7-9/h2H,1,3-7H2
(3)InChIKey: IFGPIJRMICXHER-UHFFFAOYAO

Product Name

1-Allyltetrahydro-4(1H)-pyridinone

1-Allyltetrahydro-4(1H)-pyridinone Specification

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