Ethyl 4-methylpiperidine-4-carboxylate supplier

Name
4-Methylisonipecotic acid ethyl ester
EINECS
CAS No. 103039-88-9
Density 0.978g/cm³
Solubility
Melting Point
Formula C₉H₁₇ N O₂
Boiling Point 220.728 °C at 760 mmHg
Molecular Weight 171.239
Flash Point 87.294 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isonipecoticacid, 4-methyl-, ethyl ester (6CI);4-Methylpiperidin-4-carboxylic acid ethylester;Ethyl 4-methylpiperidine-4-carboxylate;
PSA 38.33000
LogP 1.26800

Ethyl 4-methylpiperidine-4-carboxylate Specification

The Ethyl 4-methylpiperidine-4-carboxylate with cas registry number of 103039-88-9, is also called Isonipecoticacid, 4-methyl-, ethyl ester (6CI) ; 4-Methylpiperidin-4-carboxylic acid ethylester .

Physical properties of Ethyl 4-methylpiperidine-4-carboxylate :(1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 38.33 Å²; (11)Index of Refraction: 1.445; (12)Molar Refractivity: 46.604 cm³; (13)Molar Volume: 175.029 cm³; (14)Polarizability: 18.475×10^-24cm³; (15)Surface Tension: 30.389 dyne/cm; (16)Enthalpy of Vaporization: 45.716 kJ/mol ; (17)Vapour Pressure: 0.111 mmHg at 25°C.

You can still convert the following datas into molecular structure:(1)SMILES:O=C(OCC)C1(C)CCNCC1; (2)InChI:InChI=1/C9H17NO2/c1-3-12-8(11)9(2)4-6-10-7-5-9/h10H,3-7H2,1-2H3; (3)InChIKey:YWXSWDQLJWHKMW-UHFFFAOYAU; (4)Std. InChI:InChI=1S/C9H17NO2/c1-3-12-8(11)9(2)4-6-10-7-5-9/h10H,3-7H2,1-2H3; (5)Std. InChIKey:YWXSWDQLJWHKMW-UHFFFAOYSA-N.

Product Name

4-Methylisonipecotic acid ethyl ester

Ethyl 4-methylpiperidine-4-carboxylate Specification

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