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758-96-3

Basic Information
CAS No.: 758-96-3
Name: Propanamide,N,N-dimethyl-
Article Data: 49
Cas Database
Molecular Structure:
Molecular Structure of 758-96-3 (Propanamide,N,N-dimethyl-)
Formula: C5H11NO
Molecular Weight: 101.148
Synonyms: Propionamide,N,N-dimethyl- (6CI,7CI,8CI);DMP;
EINECS: 212-064-9
Density: 0.876 g/cm3
Melting Point: -45 °C
Boiling Point: 176 °C at 760 mmHg
Flash Point: 65.8 °C
Solubility: soluble in water
Appearance: colourless liquid
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes: 36/37/38-22
Safety: 37/39-26
Transport Information: N/A
PSA: 20.31000
LogP: 0.48460
Synthetic route
5818-15-5

d'hydrazide de l'acide propionique

N,N-Dimethyl-N'-(dimethylamino-methoxymethyl)-formamidin

A

288-88-0

1,2,4-Triazole

B

758-96-3

N,N-dimethyl-propanamide

Conditions
ConditionsYield
In methanol for 7h; Heating;A 87%
B 91%
6727-87-3

triethylgermyllithium

127-19-5

N,N-dimethyl acetamide

A

758-96-3

N,N-dimethyl-propanamide

B

1188-14-3

Triethylgerman

Conditions
ConditionsYield
With methyl iodide In tetrahydrofuran double excess of MeI; not isolated; GLC;A 86%
B 89%
17199-17-6

1-hydroxy-2-butyl-dimethylamine

758-96-3

N,N-dimethyl-propanamide

Conditions
ConditionsYield
With potassium hydroxide; air In diethyl ether at 20℃; for 90h;84%
79-03-8

propionyl chloride

124-40-3

dimethyl amine

758-96-3

N,N-dimethyl-propanamide

Conditions
ConditionsYield
In benzene at 20℃;80%
In diethyl ether at -30℃;74%
With benzene
With diethyl ether
In tetrahydrofuran; dichloromethane at 20℃; Cooling with ice;
430-71-7

propionyl fluoride

N,N-dimethyltriphenylgermylamine

758-96-3

N,N-dimethyl-propanamide

Conditions
ConditionsYield
In benzene Reflux; Schlenk technique;63%
127-19-5

N,N-dimethyl acetamide

59983-62-9

Li{(CH2)(CH2)P(C6H5)2}

74-88-4

methyl iodide

A

758-96-3

N,N-dimethyl-propanamide

B

1661-08-1

diphenylethylmethylphosphonium iodide

Conditions
ConditionsYield
at -50℃; for 5h; 1 equiv. of MeI;A 60%
B 60%
2680-03-7

N,N-Dimethylacrylamide

A

758-96-3

N,N-dimethyl-propanamide

B

81733-98-4

bis(N,N-dimethyl)-γ-ketopimelamide

Conditions
ConditionsYield
With carbon monoxide; isopropyl alcohol; dodecacarbonyltetrarhodium(0) at 180℃; for 6h; Pressure (range begins): 75 ;A 31 % Chromat.
B 47%
2680-03-7

N,N-Dimethylacrylamide

201230-82-2

carbon monoxide

A

758-96-3

N,N-dimethyl-propanamide

B

81733-98-4

bis(N,N-dimethyl)-γ-ketopimelamide

Conditions
ConditionsYield
With isopropyl alcohol; dodecacarbonyltetrarhodium(0) at 180℃; for 6h; Pressure (range begins): 75 ;A 31%
B 47 % Chromat.
680-31-9

N,N,N,N,N,N-hexamethylphosphoric triamide

802294-64-0

propionic acid

758-96-3

N,N-dimethyl-propanamide

Conditions
ConditionsYield
under 100 Torr;
802294-64-0

propionic acid

124-40-3

dimethyl amine

758-96-3

N,N-dimethyl-propanamide

Conditions
ConditionsYield
With air at 155℃;
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    Chemical Name: N,N-Dimethylpropionamide CAS: 758-96-3 Molecular Fomula: C5H11NO Molecular weight: 101.15 Appearance: colorless liquid Assay: 99%min Appearance:Colorless transparent liquid Storage: Room Temperature Package: 25kg/drum Appli

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The N,N-Dimethylpropionamide is an organic compound with the formula C5H11NO. The IUPAC name of this chemical is N,N-dimethylpropanamide. With the CAS registry number 758-96-3, it is also named as Propionamide, N,N-dimethyl-. The product's categories are Amides; Carbonyl Compounds; Organic Building Blocks. Besides, it is a colourless liquid, which should be stored in a closed cool and dry place.

Physical properties about N,N-Dimethylpropionamide are: (1)ACD/LogP: -0.22; (2)ACD/LogD (pH 5.5): -0.21; (3)ACD/LogD (pH 7.4): -0.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.2; (7)ACD/KOC (pH 7.4): 18.2; (8)#H bond acceptors: 2 ; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 20.31 Å2; (11)Index of Refraction: 1.415; (12)Molar Refractivity: 28.96 cm3; (13)Molar Volume: 115.4 cm3; (14)Polarizability: 11.48×10-24cm3; (15)Surface Tension: 26.4 dyne/cm; (16)Density: 0.876 g/cm3; (17)Flash Point: 65.8 °C; (18)Enthalpy of Vaporization: 41.23 kJ/mol; (19)Boiling Point: 176 °C at 760 mmHg; (20)Vapour Pressure: 1.12 mmHg at 25°C.

Preparation: this chemical can be prepared by propionyl chloride and dimethylamine. This reaction will need reagent benzene.



Uses of N,N-Dimethylpropionamide: it can be used to produce trans-N,N-dimethyl-2-methylhex-4-enamide at temperature of 0 °C. It will need reagent diisopropylamine, n-BuLi and solvent tetrahydrofuran, hexane with reaction time of 1 hours The yield is about 63%.

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

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N(C)C)CC
(2)InChI: InChI=1/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3
(3)InChIKey: MBHINSULENHCMF-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3
(5)Std. InChIKey: MBHINSULENHCMF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 875mg/kg (875mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
American Industrial Hygiene Association Journal. Vol. 32, Pg. 539, 1971.
mouse LD50 intravenous 820mg/kg (820mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BLOOD: HEMORRHAGE
American Industrial Hygiene Association Journal. Vol. 32, Pg. 539, 1971.