Basic information
- Name:
4-Piperidinecarboxylicacid, 1-(2-chloroacetyl)-, ethyl ester
- Superlist Name:
- Ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate
- CAS No.:
318280-71-6
- Molecular Structure:
- Formula:
- C10H16ClNO3
- Molecular Weight:
- 233.69
- Synonyms:
- 4-Piperidinecarboxylicacid, 1-(chloroacetyl)-, ethyl ester (9CI);Ethyl 1-chloroacetylpiperidine-4-carboxylate;Ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate;
- Density:
- 1.202 g/cm3
- Boiling Point:
- 345.8 °C at 760 mmHg
- Flash Point:
- 162.9 °C
- Hazard Symbols:
Xi,
C
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Specification
The IUPAC name of Ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate is ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate. With the CAS registry number 318280-71-6, it is also named as 4-Piperidinecarboxylicacid, 1-(2-chloroacetyl)-, ethyl ester. The product's category is Acetylhalide. In addition, its molecular formula is C10H16ClNO3 and its molecular weight is 233.69.
The other characteristics of Ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate can be summarized as: (1)XLogP3-AA: 1.1; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 4; (5)Exact Mass: 233.081871; (6)MonoIsotopic Mass: 233.081871; (7)Topological Polar Surface Area: 46.6; (8)Heavy Atom Count: 15; (9)Complexity: 237; (10)Freely Rotating Bonds: 4; (11)Polar Surface Area: 46.61 Å2; (12)Index of Refraction: 1.49; (13)Molar Refractivity: 56.26 cm3; (14)Molar Volume: 194.2 cm3; (15)Polarizability: 22.3×10-24cm3; (16)Surface Tension: 42.1 dyne/cm; (17)Density: 1.202 g/cm3; (18)Flash Point: 162.9 °C; (19)Enthalpy of Vaporization: 58.99 kJ/mol; (20)Boiling Point: 345.8 °C at 760 mmHg; (21)Vapour Pressure: 6.01E-05 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(N1CCC(C(=O)OCC)CC1)CCl
(2)InChI: InChI=1/C10H16ClNO3/c1-2-15-10(14)8-3-5-12(6-4-8)9(13)7-11/h8H,2-7H2,1H3
(3)InChIKey: QEHUOCAVXLYCAU-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H16ClNO3/c1-2-15-10(14)8-3-5-12(6-4-8)9(13)7-11/h8H,2-7H2,1H3
(5)Std. InChIKey: QEHUOCAVXLYCAU-UHFFFAOYSA-N