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N-Methylpropionamide

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Name

N-Methylpropionamide

EINECS 214-699-7
CAS No. 1187-58-2 Density 0.866 g/cm3
PSA 29.10000 LogP 0.53330
Solubility N/A Melting Point -43 °C(lit.)
Formula C4H9NO Boiling Point 217.8 °C at 760 mmHg
Molecular Weight 87.1216 Flash Point 105.4 °C
Transport Information N/A Appearance clear colourless liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1187-58-2 (N-Methylpropionamide) Hazard Symbols IrritantXi
Synonyms

Propionamide,N-methyl- (6CI,7CI,8CI);N-Methylpropanamide;N-Methylpropionic acid amide;NSC 54114;

Article Data 32

N-Methylpropionamide Consensus Reports

Reported in EPA TSCA Inventory.

N-Methylpropionamide Specification

The N-Methylpropionamide is an organic compound with the formula C4H9NO. The IUPAC name of this chemical is N-methylpropanamide. With the CAS registry number 1187-58-2, it is also named as propanamide, N-methyl-. The product's categories are Amides; Carbonyl Compounds; Organic Building Blocks. Besides, it is a clear colourless liquid, which used as a solvent.

Physical properties about N-Methylpropionamide are: (1)ACD/LogP: -0.52; (2)ACD/LogD (pH 5.5): -0.52; (3)ACD/LogD (pH 7.4): -0.52; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.44; (7)ACD/KOC (pH 7.4): 12.44; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 20.31 Å2; (12)Index of Refraction: 1.397; (13)Molar Refractivity: 24.2 cm3; (14)Molar Volume: 100.4 cm3; (15)Polarizability: 9.59×10-24cm3; (16)Surface Tension: 24.8 dyne/cm; (17)Density: 0.866 g/cm3; (18)Flash Point: 105.4 °C; (19)Enthalpy of Vaporization: 45.42 kJ/mol; (20)Boiling Point: 217.8 °C at 760 mmHg; (21)Vapour Pressure: 0.13 mmHg at 25°C.

Preparation: this chemical can be prepared by propionyl chloride and methylamine. This reaction will need reagent KOH and solvent H2O.



Uses of N-Methylpropionamide: it can be used to produce N-methylthiopropanamide by heating. It will need reagent P2S5 and solvent benzene.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC)CC
(2)InChI: InChI=1/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)
(3)InChIKey: QJQAMHYHNCADNR-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)
(5)Std. InChIKey: QJQAMHYHNCADNR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 1700mg/kg (1700mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 645, 1968.

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