CAS No.14379-28-3,N-Dodecanoyl-L-valine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14379-28-3
Name:	N-Dodecanoyl-L-valine
Article Data:	9

Formula:	C₁₇H₃₃NO₃
Molecular Weight:	299.454
Synonyms:	Valine,N-lauroyl-, L- (8CI);(S)-N-Dodecanoylvaline;N-Dodecanoyl-L-valine;N-Dodecanoylvaline;N-Lauroyl-L-valine;
Density:	0.964 g/cm³
Boiling Point:	470.2 °C at 760 mmHg
Flash Point:	238.2 °C
PSA:	66.40000
LogP:	4.52360

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Specification

The N-Dodecanoyl-L-valine is an organic compound with the formula C₁₇H₃₃NO₃. The IUPAC name of this chemical is (2S)-2-(dodecanoylamino)-3-methylbutanoic acid. With the CAS registry number 14379-28-3, it is also named as L-valine, N-(1-oxododecyl)-.

Physical properties about N-Dodecanoyl-L-valine are: (1)ACD/LogP: 5.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.04; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 38.02; (6)ACD/BCF (pH 7.4): 1.3; (7)ACD/KOC (pH 5.5): 120.07; (8)ACD/KOC (pH 7.4): 4.1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 85.91 cm³; (15)Molar Volume: 310.4 cm³; (16)Polarizability: 34.05×10^-24cm³; (17)Surface Tension: 35.5 dyne/cm; (18)Density: 0.964 g/cm³; (19)Flash Point: 238.2 °C; (20)Enthalpy of Vaporization: 80.27 kJ/mol; (21)Boiling Point: 470.2 °C at 760 mmHg; (22)Vapour Pressure: 3.85E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](C(=O)O)C(C)C)CCCCCCCCCCC
(2)InChI: InChI=1/C17H33NO3/c1-4-5-6-7-8-9-10-11-12-13-15(19)18-16(14(2)3)17(20)21/h14,16H,4-13H2,1-3H3,(H,18,19)(H,20,21)/t16-/m0/s1
(3)InChIKey: WQHXCNGQDLRDMP-INIZCTEOBD
(4)Std. InChI: InChI=1S/C17H33NO3/c1-4-5-6-7-8-9-10-11-12-13-15(19)18-16(14(2)3)17(20)21/h14,16H,4-13H2,1-3H3,(H,18,19)(H,20,21)/t16-/m0/s1
(5)Std. InChIKey: WQHXCNGQDLRDMP-INIZCTEOSA-N