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114780-06-2

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Basic Information
CAS No.: 114780-06-2
Name: 4-CHLORO-N,N-DIMETHYL-PYRIDINE-2-CARBOXAMIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 114780-06-2 (4-CHLORO-N,N-DIMETHYL-PYRIDINE-2-CARBOXAMIDE)
Formula: C8H9ClN2O
Molecular Weight: 184.625
Synonyms: 4-Chloro-2-N,N-dimethylcarbamoylpyridine;4-Chloro-N,N-dimethyl-2-pyridinecarboxamide;
Density: 1.231 g/cm3
Boiling Point: 323.5 °C at 760 mmHg
Flash Point: 149.4 °C
PSA: 33.20000
LogP: 1.43680
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Specification

The 2-Pyridinecarboxamide,4-chloro-N,N-dimethyl-, with its CAS registry number 114780-06-2, has the systematic name of 4-chloro-N,N-dimethylpyridine-2-carboxamide. Besides, this chemical has the molecular foumula of C8H9ClN2O and the molecular weight of 184.62. And it belongs to the product categories which include Pyridines.

The characteristics of 2-Pyridinecarboxamide,4-chloro-N,N-dimethyl- are as follows: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 33.2; (7)Index of Refraction: 1.548; (8)Molar Refractivity: 47.62 cm3; (9)Molar Volume: 149.8 cm3; (10)Polarizability: 18.87×10-24 cm3; (11)Surface Tension: 44.8 dyne/cm; (12)Density: 1.231 g/cm3; (13)Flash Point: 149.4 °C; (14)Enthalpy of Vaporization: 56.54 kJ/mol; (15)Boiling Point: 323.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000261 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Clc1ccnc(C(=O)N(C)C)c1
(2)InChI:InChI=1/C8H9ClN2O/c1-11(2)8(12)7-5-6(9)3-4-10-7/h3-5H,1-2H3
(3)InChIKey:UIYJJRGPGYNXNE-UHFFFAOYAG
(4)Std. InChI:InChI=1S/C8H9ClN2O/c1-11(2)8(12)7-5-6(9)3-4-10-7/h3-5H,1-2H3
(5)Std. InChIKey:UIYJJRGPGYNXNE-UHFFFAOYSA-N