1-Piperidinecarboxylicacid, 4-oxo-, 2-propen-1-yl ester supplier

Name
1-N-ALLOC-4-PIPERIDONE
EINECS
CAS No. 306296-67-3
Article Data2
CAS DataBase
Density 1.146 g/cm³
Solubility
Melting Point
Formula C₉H₁₃NO₃
Boiling Point 287.1 °C at 760 mmHg
Molecular Weight 183.207
Flash Point 127.4 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms N-Allyloxycarbonyl-4-piperidone;1-Piperidinecarboxylicacid, 4-oxo-, 2-propenyl ester (9CI);1-Allyloxycarbonylpiperidin-4-one;1-Allyloxycarbonyl-4-piperidone;Prop-2-en-1-yl 4-oxopiperidine-1-carboxylate;4-Oxo-piperidine-1-carboxylic acid allyl ester;
PSA 46.61000
LogP 0.91180

1-Piperidinecarboxylicacid, 4-oxo-, 2-propen-1-yl ester Specification

The 1-Piperidinecarboxylicacid, 4-oxo-, 2-propen-1-yl ester, with the CAS registry number 306296-67-3, is also known as 1-Allyloxycarbonyl-4-piperidone. It belongs to the product categories of Carboxylicester; Pharmacetical. This chemical's molecular formula is C₉H₁₃NO₃ and molecular weight is 183.2. What's more, its systematic name is Prop-2-en-1-yl 4-oxopiperidine-1-carboxylate.

Physical properties of 1-Piperidinecarboxylicacid, 4-oxo-, 2-propen-1-yl ester are: (1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.02; (4)ACD/LogD (pH 7.4): -0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.33; (8)ACD/KOC (pH 7.4): 23.33; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 46.69 cm³; (15)Molar Volume: 159.7 cm³; (16)Polarizability: 18.51×10^-24cm³; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.146 g/cm³; (19)Flash Point: 127.4 °C; (20)Enthalpy of Vaporization: 52.62 kJ/mol; (21)Boiling Point: 287.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00254 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CCOC(=O)N1CCC(=O)CC1
(2)InChI: InChI=1S/C9H13NO3/c1-2-7-13-9(12)10-5-3-8(11)4-6-10/h2H,1,3-7H2
(3)InChIKey: TUEIRODWNWORRI-UHFFFAOYSA-N

Product Name

1-N-ALLOC-4-PIPERIDONE

1-Piperidinecarboxylicacid, 4-oxo-, 2-propen-1-yl ester Specification

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