CAS No.13221-89-1,Methyl 1-methyl-4-oxopiperidine-3-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13221-89-1
Name:	Methyl 1-methyl-4-oxopiperidine-3-carboxylate
Article Data:	12
Cas Database

Formula:	C₈H₁₃NO₃
Molecular Weight:	171.196
Synonyms:	Nipecoticacid, 1-methyl-4-oxo-, methyl ester (6CI,7CI,8CI);1-Methyl-3-carbomethoxy-4-piperidinone;1-Methyl-3-methoxycarbonylpiperidin-4-one;1-Methyl-4-oxo-3-piperidinecarboxylic acid methyl ester;3-Carbomethoxy-N-methyl-4-piperidinone;N-Methyl-3-carbomethoxy-4-piperidinone;
Density:	1.129 g/cm³
Melting Point:	186 °C
Boiling Point:	255.337 °C at 760 mmHg
Flash Point:	108.225 °C
PSA:	46.61000
LogP:	-0.38190

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Specification

This chemical is called Methyl 1-methyl-4-oxopiperidine-3-carboxylate, and it can also be named as 3-piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester. With the molecular formula of C₈H₁₃NO₃, its molecular weight is 171.19. The CAS registry number of this chemical is 13221-89-1.

Other characteristics of the Methyl 1-methyl-4-oxopiperidine-3-carboxylate can be summarised as followings: (1)ACD/LogP: -0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.61; (4)ACD/LogD (pH 7.4): -0.38; (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): 13.36; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 42.41 cm³; (15)Molar Volume: 151.6 cm³; (16)Polarizability: 16.81×10^-24cm³; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.129 g/cm³; (19)Flash Point: 108.2 °C; (20)Enthalpy of Vaporization: 49.28 kJ/mol; (21)Boiling Point: 255.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0164 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)C1C(=O)CCN(C)C1
2.InChI: InChI=1/C8H13NO3/c1-9-4-3-7(10)6(5-9)8(11)12-2/h6H,3-5H2,1-2H3
3.InChIKey: BKCOINBLEJIZGR-UHFFFAOYAM
4.Std. InChI: InChI=1S/C8H13NO3/c1-9-4-3-7(10)6(5-9)8(11)12-2/h6H,3-5H2,1-2H3