-
Name
N-METHYL-4-PIPERIDINECARBOXYLIC ACID METHYL ESTER
- EINECS
- CAS No. 1690-75-1
- Article Data16
- CAS DataBase
- Density 1.013 g/cm3
- Solubility
- Melting Point
- Formula C8H15NO2
- Boiling Point 190 °C at 760 mmHg
- Molecular Weight 157.213
- Flash Point 68 °C
- Transport Information
- Appearance light yellow liquid
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Isonipecoticacid, 1-methyl-, methyl ester (6CI,7CI,8CI);Methyl1-methylpiperidine-4-carboxylate;Methyl N-methylisonipecotinate;
- PSA 29.54000
- LogP 0.43910
Methyl N-methyl-4-piperidinecarboxylate Specification
The IUPAC name of this chemical is methyl 1-methylpiperidine-4-carboxylate. With the CAS registry number 1690-75-1, it is also named as 4-piperidinecarboxylic acid, 1-methyl-, methyl ester. The product's categorie is pyridine series. It is light yellow liquid which is used as pharmaceutical intermediate.
The other characteristics of Methyl N-methyl-4-piperidinecarboxylate can be summarized as: (1)ACD/LogP: 0.60; (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): 1.6; (7)#H bond acceptors: 3; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.457; (11)Molar Refractivity: 42.28 cm3; (12)Molar Volume: 155.1 cm3; (13)Polarizability: 16.76×10-24 cm3; (14)Surface Tension: 32.5 dyne/cm; (15)Flash Point: 68 °C; (16)Enthalpy of Vaporization: 42.62 kJ/mol; (17)Boiling Point: 190 °C at 760 mmHg; (18)Vapour Pressure: 0.553 mmHg at 25; (19)Exact Mass: 157.110279; (20)MonoIsotopic Mass: 157.110279; (21)Topological Polar Surface Area: 29.5; (22)Heavy Atom Count: 11; (23)Complexity: 139.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC)C1CCN(C)CC1
2. InChI:InChI=1/C8H15NO2/c1-9-5-3-7(4-6-9)8(10)11-2/h7H,3-6H2,1-2H3
3. InChIKey:KYAOKPRJTMFBTQ-UHFFFAOYAO
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