2-Pyridinecarboxamide,4-chloro-N-(1-methylethyl)- supplier

Name
4-CHLORO-N-ISOPROPYL-PYRIDINE-2-CARBOXAMIDE
EINECS
CAS No. 604813-08-3
Article Data6
CAS DataBase
Density 1.18 g/cm³
Solubility
Melting Point
Formula C₉H₁₁ClN₂O
Boiling Point 331.6 °C at 760 mmHg
Molecular Weight 198.652
Flash Point 154.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chloro-N-isopropyl-2-pyridinecarboxamide;
PSA 41.99000
LogP 2.26410

2-Pyridinecarboxamide,4-chloro-N-(1-methylethyl)- Specification

The 2-Pyridinecarboxamide,4-chloro-N-(1-methylethyl)-, with CAS registry number 604813-08-3, belongs to the following product category: Pyridines. It has the systematic name of 4-chloro-N-(1-methylethyl)pyridine-2-carboxamide. And the chemical formula of this chemical is C₉H₁₁ClN₂O.

Physical properties of 2-Pyridinecarboxamide,4-chloro-N-(1-methylethyl)-: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 6.32; (6)ACD/BCF (pH 7.4): 6.32; (7)ACD/KOC (pH 5.5): 130.2; (8)ACD/KOC (pH 7.4): 130.2; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.99 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 52.08 cm³; (15)Molar Volume: 168.3 cm³; (16)Polarizability: 20.64×10^-24cm³; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 154.4 °C; (20)Enthalpy of Vaporization: 57.43 kJ/mol; (21)Boiling Point: 331.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000154 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccnc(c1)C(=O)NC(C)C
(2)InChI: InChI=1/C9H11ClN2O/c1-6(2)12-9(13)8-5-7(10)3-4-11-8/h3-6H,1-2H3,(H,12,13)
(3)InChIKey: HTSYGJDVLDXZEN-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H11ClN2O/c1-6(2)12-9(13)8-5-7(10)3-4-11-8/h3-6H,1-2H3,(H,12,13)
(5)Std. InChIKey: HTSYGJDVLDXZEN-UHFFFAOYSA-N

Product Name

4-CHLORO-N-ISOPROPYL-PYRIDINE-2-CARBOXAMIDE

2-Pyridinecarboxamide,4-chloro-N-(1-methylethyl)- Specification

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