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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 | Hazard Symbols | N/A | |
Synonyms |
4-Chloro-N,N-diethylpicolinamide;4-Chloro-N,N-diethyl-pyridine-2-carboxamide; |
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