CAS No.18836-52-7,pellitorine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18836-52-7
Name:	pellitorine
Article Data:	36

Formula:	C₁₄H₂₅NO
Molecular Weight:	223.359
Synonyms:	2,4-Decadienamide,N-(2-methylpropyl)-, (E,E)-;2,4-Decadienamide, N-isobutyl-, (E,E)- (8CI);Pellitorine (6CI);(E,E)-N-(2-Methylpropyl)-2,4-decadienamide;2E,4E-Decadienoic acid N-isobutylamide;N-(2-Methylpropyl)deca-trans-2-trans-4-dienamide;N-Isobutyl-(2E,4E_-deca-2,4-dienamide;N-Isobutyl-2-trans-4-trans-decadienamide;N-Isobutyldeca-trans-2-trans-4-dienamide;Pellitorin;trans-Pellitorin;
Density:	0.882 g/cm³
Melting Point:	88-89 °C
Boiling Point:	368.7 °C at 760 mmHg
Flash Point:	224.6 °C
PSA:	29.10000
LogP:	3.84220

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Specification

The Pellitorine, with the CAS registry number 18836-52-7, is also known as 2,4-Decadienamide, N-(2-methylpropyl)-, (E,E)-. This chemical's molecular formula is C₁₄H₂₅NO and molecular weight is 223.3544. Its IUPAC name is called (2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide. What's more, this chemical's classification code is Reproductive Effect.

Physical properties of Pellitorine: (1)ACD/LogP: 3.92; (2)ACD/LogD (pH 5.5): 3.92; (3)ACD/LogD (pH 7.4): 3.92; (4)ACD/BCF (pH 5.5): 561.02; (5)ACD/BCF (pH 7.4): 561.02; (6)ACD/KOC (pH 5.5): 3230.9; (7)ACD/KOC (pH 7.4): 3230.9; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.469; (12)Molar Refractivity: 70.6 cm³; (13)Molar Volume: 253.1 cm³; (14)Surface Tension: 30.2 dyne/cm; (15)Density: 0.882 g/cm³; (16)Flash Point: 224.6 °C; (17)Enthalpy of Vaporization: 61.53 kJ/mol; (18)Boiling Point: 368.7 °C at 760 mmHg; (19)Vapour Pressure: 1.25E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by isobutylamine and deca-2t,4t-dienoyl chloride. This reaction will need reagent diethyl ether.

Pellitorine can be prepared by isobutylamine and deca-2t,4t-dienoyl chloride

Uses of Pellitorine: it can be used to produce N-isobutyl-4,5-epoxy-2(E)-decadienamide. This reaction will need reagent m-chloroperbenzoic acid and solvent CH₂Cl₂ with reaction time of 16 hours. The yield is about 65%.

Pellitorine can be used to produce N-isobutyl-4,5-epoxy-2(E)-decadienamide

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCC=CC=CC(=O)NCC(C)C
(2)Isomeric SMILES: CCCCC/C=C/C=C/C(=O)NCC(C)C
(3)InChI: InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8+,11-10+
(4)InChIKey: MAGQQZHFHJDIRE-BNFZFUHLSA-N