4-Oxo-piperidine-3-carboxylic acid methyl ester supplier

Name
4-Oxo-piperidine-3-carboxylic acid methyl ester
EINECS
CAS No. 108554-34-3
Density 1.15 g/cm³
Solubility
Melting Point
Formula C₇H₁₁NO₃
Boiling Point 249.4 °C at 760 mmHg
Molecular Weight 157.169
Flash Point 104.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Oxopiperidine-3-carboxylic acid methyl ester;Methyl 4-piperidone-3-carboxylate;
PSA 55.40000
LogP -0.33320

4-Oxo-piperidine-3-carboxylic acid methyl ester Specification

This chemical is called 4-Oxo-piperidine-3-carboxylic acid methyl ester, and its systematic name is Methyl 4-oxopiperidine-3-carboxylate. With the molecular formula of C₇H₁₁NO₃, its molecular weight is 157.17. The CAS registry number of the chemical is 108554-34-3. Additionally, its product category is Pharmacetical.

Other characteristics of 4-Oxo-piperidine-3-carboxylic acid methyl ester can be summarised as followings: (1)ACD/LogP: -0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.76; (4)ACD/LogD (pH 7.4): -1.08; (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): 3.64; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 37.48 cm³; (15)Molar Volume: 136.5 cm³; (16)Polarizability: 14.86×10^-24cm³; (17)Surface Tension: 37.3 dyne/cm; (18)Density: 1.15 g/cm³; (19)Flash Point: 104.6 °C; (20)Enthalpy of Vaporization: 48.66 kJ/mol; (21)Boiling Point: 249.4 °C at 760 mmHg; (22)Vapour Pressure: 0.023 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1CCNCC1C(=O)OC
2.InChI: InChI=1/C7H11NO3/c1-11-7(10)5-4-8-3-2-6(5)9/h5,8H,2-4H2,1H3
3.InChIKey: XBNGBGYWMXBQRX-UHFFFAOYAT
4.Std. InChI: InChI=1S/C7H11NO3/c1-11-7(10)5-4-8-3-2-6(5)9/h5,8H,2-4H2,1H3
5.Std. InChIKey: XBNGBGYWMXBQRX-UHFFFAOYSA-N

Product Name

4-Oxo-piperidine-3-carboxylic acid methyl ester

4-Oxo-piperidine-3-carboxylic acid methyl ester Specification

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