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CAS No.: | 29898-23-5 |
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Name: | Methyl 5-(Dimethylamino)nicotinate |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H12N2O2 |
Molecular Weight: | 180.21 |
Synonyms: | Methyl 5-(Dimethylamino)nicotinate;Methyl 5-(Dimethylamino)pyridine-3-carboxylate; |
Density: | 1.137 g/cm3 |
Boiling Point: | 290.852 °C at 760 mmHg |
Flash Point: | 129.703 °C |
PSA: | 42.43000 |
LogP: | 0.93420 |
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The 3-Pyridinecarboxylic acid, 5-(dimethylamino)-, methyl ester, with the CAS registry number 29898-23-5, is also known as Methyl 5-(dimethylamino)nicotinate. This chemical's molecular formula is C9H12N2O2 and molecular weight is 180.21. What's more, its systematic name is methyl 5-(dimethylamino)pyridine-3-carboxylate.
Physical properties of 3-Pyridinecarboxylic acid, 5-(dimethylamino)-, methyl ester are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 42.43 Å2; (7)Index of Refraction: 1.549; (8)Molar Refractivity: 50.431 cm3; (9)Molar Volume: 158.541 cm3; (10)Polarizability: 19.992×10-24cm3; (11)Surface Tension: 43.988 dyne/cm; (12)Density: 1.137 g/cm3; (13)Flash Point: 129.703 °C; (14)Enthalpy of Vaporization: 53.025 kJ/mol; (15)Boiling Point: 290.852 °C at 760 mmHg; (16)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)c1cc(cnc1)C(=O)OC
(2)InChI: InChI=1S/C9H12N2O2/c1-11(2)8-4-7(5-10-6-8)9(12)13-3/h4-6H,1-3H3
(3)InChIKey: UZBCZKOYJMGKCW-UHFFFAOYSA-N