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2-Pyridinecarboxamide,4-chloro-N,N-diethyl-

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Name

2-Pyridinecarboxamide,4-chloro-N,N-diethyl-

EINECS N/A
CAS No. 851903-41-8 Density 1.162 g/cm3
PSA 33.20000 LogP 2.21700
Solubility N/A Melting Point N/A
Formula C10H13ClN2O Boiling Point 347.8 °C at 760 mmHg
Molecular Weight 212.68 Flash Point 164.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 851903-41-8 (4-CHLORO-N,N-DIETHYL-PYRIDINE-2-CARBOXAMIDE) Hazard Symbols N/A
Synonyms

4-Chloro-N,N-diethylpicolinamide;4-Chloro-N,N-diethyl-pyridine-2-carboxamide;

 

2-Pyridinecarboxamide,4-chloro-N,N-diethyl- Specification

The systematic name of 2-Pyridinecarboxamide,4-chloro-N,N-diethyl- is 4-chloro-N,N-diethylpyridine-2-carboxamide. With the CAS registry number 851903-41-8, it is also named as 4-Chloro-N,N-diethylpicolinamide. The product's category is Pyridines. In addition, its molecular formula is C10H13ClN2O and its molecular weight is 212.68.

The other characteristics of 2-Pyridinecarboxamide,4-chloro-N,N-diethyl- can be summarized as: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 5.37; (6)ACD/BCF (pH 7.4): 5.37; (7)ACD/KOC (pH 5.5): 115.85; (8)ACD/KOC (pH 7.4): 115.86; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 33.2 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 56.88 cm3; (15)Molar Volume: 182.9 cm3; (16)Polarizability: 22.55×10-24cm3; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.162 g/cm3; (19)Flash Point: 164.1 °C; (20)Enthalpy of Vaporization: 59.21 kJ/mol; (21)Boiling Point: 347.8 °C at 760 mmHg; (22)Vapour Pressure: 5.26E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1ccnc(C(=O)N(CC)CC)c1
(2)InChI: InChI=1/C10H13ClN2O/c1-3-13(4-2)10(14)9-7-8(11)5-6-12-9/h5-7H,3-4H2,1-2H3
(3)InChIKey: RXQILWMQVLDJJG-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H13ClN2O/c1-3-13(4-2)10(14)9-7-8(11)5-6-12-9/h5-7H,3-4H2,1-2H3
(5)Std. InChIKey: RXQILWMQVLDJJG-UHFFFAOYSA-N

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