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Name |
N,N-Diethyl-2-chloropropionamide |
EINECS | 259-107-8 |
CAS No. | 54333-75-4 | Density | 1.021 g/cm3 |
PSA | 20.31000 | LogP | 1.48210 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H14ClNO | Boiling Point | 216.8 °C at 760 mmHg |
Molecular Weight | 163.647 | Flash Point | 84.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Propionamide,2-chloro-N,N-diethyl- (6CI);2-Chloro-N,N-diethylpropionamide;N,N-Diethyl-2-chloropropionamide;R 386; |
Article Data | 6 |
The N,N-Diethyl-2-chloropropionamide, with the CAS registry number 54333-75-4 and EINECS registry number 259-107-8, has the systematic name of 2-chloro-N,N-diethylpropanamide. And the molecular formula of the chemical is C7H14ClNO.
The characteristics of this chemical are as followings: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.83; (6)ACD/BCF (pH 7.4): 2.83; (7)ACD/KOC (pH 5.5): 73.19; (8)ACD/KOC (pH 7.4): 73.19; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 43.03 cm3; (15)Molar Volume: 160.2 cm3; (16)Polarizability: 17.06×10-24cm3; (17)Surface Tension: 30.7 dyne/cm; (18)Density: 1.021 g/cm3; (19)Flash Point: 84.9 °C; (20)Enthalpy of Vaporization: 45.32 kJ/mol; (21)Boiling Point: 216.8 °C at 760 mmHg; (22)Vapour Pressure: 0.137 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(C(=O)N(CC)CC)C
(2)InChI: InChI=1/C7H14ClNO/c1-4-9(5-2)7(10)6(3)8/h6H,4-5H2,1-3H3
(3)InChIKey: WORKHWHULFDZDE-UHFFFAOYAF