CAS No.2430-27-5,2,2-DI-N-PROPYLACETAMIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2430-27-5
Name:	2,2-DI-N-PROPYLACETAMIDE
Article Data:	11

Formula:	C₈H₁₇NO
Molecular Weight:	143.229
Synonyms:	Valeramide,2-propyl- (6CI,7CI,8CI);2-Propylpentamide;Heptane-4-carboxamide;Depamide;Di-n-propylacetamide;Dipropylacetamide;a-Propylvaleramide;
EINECS:	219-394-2
Density:	0.885 g/cm³
Melting Point:	123-125 °C
Boiling Point:	274.612 °C at 760 mmHg
Flash Point:	119.881 °C
Solubility:	Soluble in chloroform, dimethyl sulfoxide and methanol. Insoluble in water.
Hazard Symbols:	R22:Harmful if swallowed.;
Risk Codes:	22
Safety:	22-36/37
PSA:	43.09000
LogP:	2.38840

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Specification

The IUPAC name of this chemical is 2-Propylvaleramide. With the CAS registry number 2430-27-5 and EINECS registry number 219-394-2, it is also named as pentanamide, 2-propyl-. In addition, the molecular formula is C₈H₁₇NO and the molecular weight is 143.23. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 1.77; (2)ACD/LogD (pH 5.5): 1.77; (3)ACD/LogD (pH 7.4): 1.77; (4)ACD/BCF (pH 5.5): 13.03; (5)ACD/BCF (pH 7.4): 13.03; (6)ACD/KOC (pH 5.5): 218.68; (7)ACD/KOC (pH 7.4): 218.68; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 20.31 Å²; (12)Index of Refraction: 1.44; (13)Molar Refractivity: 42.63 cm³; (14)Molar Volume: 161.7 cm³; (15)Polarizability: 16.9 ×10^-24cm³; (16)Surface Tension: 31 dyne/cm; (17)Density: 0.885 g/cm³; (18)Flash Point: 119.9 °C; (19)Enthalpy of Vaporization: 51.3 kJ/mol; (20)Boiling Point: 274.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00535 mmHg at 25°C.

Preparation of 2-Propylvaleramide: it can be prepared by methyl a-cyanopropylpentanoate through hydrolysis, decarboxylation and hydrolysis. The a-cyano normal propylpentanoate methyl can be obtained by methyl cyanoacetate through alkylation reaction.

Uses of 2-Propylvaleramide: it can be used in the treatment of various types of epilepsy. In addition, it can be used to get 2-propyl-valeric acid. This reaction is a kind of hydrolysis reaction. It will need reagent phthalic anhydride. The reaction time is 45 minutes at reaction temperature of 240-250 °C. The yield is about 92% with reaction pressure of 3040 Pa.

2-Propylvaleramide can be used to get 2-propyl-valeric acid

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. During using it, wear suitable protective clothing and gloves. In addition, do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)C(CCC)CCC
(2)InChI: InChI=1/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
(3)InChIKey: OMOMUFTZPTXCHP-UHFFFAOYAJ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	438mg/kg (438mg/kg)	Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. Vol. 9, Pg. 37, 1988.
mouse	LD50	oral	950mg/kg (950mg/kg)	"Pharmacodynamie de l'Acide Dipropylacetique Vol. -, Pg. 71, 1968.
rat	LD50	oral	890mg/kg (890mg/kg)	"Pharmacodynamie de l'Acide Dipropylacetique Vol. -, Pg. 72, 1968.