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

Name
4-CHLORO-N-DIISOPROPYL-PYRIDINE-2-CARBOXAMIDE
EINECS
CAS No. 168428-76-0
Article Data3
CAS DataBase
Density 1.11g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇ClN₂O
Boiling Point 361.3 °C at 760 mmHg
Molecular Weight 240.733
Flash Point 172.3 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Chloro-N,N-diisopropylpyridine-2-carboxamide;N,N-Diisopropyl-4-chloropyridine-2-carboxamide;
PSA 33.20000
LogP 2.99400

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

The 2-Pyridinecarboxamide,4-chloro-N,N-bis(1-methylethyl)-, with CAS registry number 168428-76-0, belongs to the following product category: Pyridines. It has the systematic name of 4-chloro-N,N-di(propan-2-yl)pyridine-2-carboxamide. And the chemical formula of this chemical is C₁₂H₁₇ClN₂O.

Physical properties of 2-Pyridinecarboxamide,4-chloro-N,N-bis(1-methylethyl)-: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 18.1; (6)ACD/BCF (pH 7.4): 18.1; (7)ACD/KOC (pH 5.5): 276.61; (8)ACD/KOC (pH 7.4): 276.62; (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: 1.521; (14)Molar Refractivity: 66.07 cm³; (15)Molar Volume: 216.6 cm³; (16)Polarizability: 26.19×10^-24cm³; (17)Surface Tension: 39.1 dyne/cm; (18)Density: 1.11 g/cm³; (19)Flash Point: 172.3 °C; (20)Enthalpy of Vaporization: 60.71 kJ/mol; (21)Boiling Point: 361.3 °C at 760 mmHg; (22)Vapour Pressure: 2.09E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccnc(C(=O)N(C(C)C)C(C)C)c1
(2)InChI: InChI=1/C12H17ClN2O/c1-8(2)15(9(3)4)12(16)11-7-10(13)5-6-14-11/h5-9H,1-4H3
(3)InChIKey: VMNWYVODDVOFPF-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C12H17ClN2O/c1-8(2)15(9(3)4)12(16)11-7-10(13)5-6-14-11/h5-9H,1-4H3
(5)Std. InChIKey: VMNWYVODDVOFPF-UHFFFAOYSA-N

Product Name

4-CHLORO-N-DIISOPROPYL-PYRIDINE-2-CARBOXAMIDE

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

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