CAS No.71448-29-8,N-Tetradecanoyl-L-alanine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	71448-29-8
Name:	N-Tetradecanoyl-L-alanine
Article Data:	6

Formula:	C₁₇H₃₃NO₃
Molecular Weight:	299.454
Synonyms:	L-Myristoylalanine;N-Myristoyl-L-alanine;
Density:	0.965 g/cm³
Boiling Point:	475.3 °C at 760 mmHg
Flash Point:	241.2 °C

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Specification

The N-Tetradecanoyl-L-alanine with its cas register number is 71448-29-8. It also can be called as L-Alanine,N-(1-oxotetradecyl)- and the Systematic name about this chemical is L-alanine, N-(1-oxotetradecyl)-.

Physical properties about N-Tetradecanoyl-L-alanine are: (1)ACD/LogP: 5.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 51.61; (6)ACD/BCF (pH 7.4): 1.78; (7)ACD/KOC (pH 5.5): 148.75; (8)ACD/KOC (pH 7.4): 5.13; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 66.4Å²; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 85.95 cm³; (15)Molar Volume: 310 cm³; (16)Polarizability: 34.07x10^-24cm³; (17)Surface Tension: 36.2 dyne/cm; (18)Enthalpy of Vaporization: 80.93 kJ/mol; (19)Vapour Pressure: 2.41E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCCCC(=O)N[C@@H](C)C(=O)O
(2)InChI: InChI=1/C17H33NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18-15(2)17(20)21/h15H,3-14H2,1-2H3,(H,18,19)(H,20,21)/t15-/m0/s1
(3)InChIKey: XDOBXTLSTUFRRP-HNNXBMFYBL
(4)Std. InChI: InChI=1S/C17H33NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18-15(2)17(20)21/h15H,3-14H2,1-2H3,(H,18,19)(H,20,21)/t15-/m0/s1
(5)Std. InChIKey: XDOBXTLSTUFRRP-HNNXBMFYSA-N