CAS No.247088-44-4,BOC-TYR(ET)-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	247088-44-4
Name:	BOC-TYR(ET)-OH
Article Data:	6

Formula:	C₁₆H₂₃NO₅
Molecular Weight:	309.362
Synonyms:	N-alpha-T-Boc-o-ethyl-l-tyrosine;
Density:	1.149 g/cm³
Boiling Point:	472.7 °C at 760 mmHg
Flash Point:	239.7 °C

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Specification

The Tyrosine,N-[(1,1-dimethylethoxy)carbonyl]-O-ethyl-, with the CAS registry number 247088-44-4, is also known as N-alpha-T-Boc-o-ethyl-l-tyrosine. This chemical's molecular formula is C₁₆H₂₃NO₅ and molecular weight is 309.3575. Its systematic name is called N-(tert-butoxycarbonyl)-O-ethyltyrosine.

Physical properties of Tyrosine,N-[(1,1-dimethylethoxy)carbonyl]-O-ethyl-: (1)ACD/LogP: 3.41; (2)ACD/LogD (pH 5.5): 1.4; (3)ACD/LogD (pH 7.4): -0.11; (4)ACD/BCF (pH 5.5): 2.23; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 16.55; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.519; (12)Molar Refractivity: 81.76 cm³; (13)Molar Volume: 269.1 cm³; (14)Surface Tension: 42.2 dyne/cm; (15)Density: 1.149 g/cm³; (16)Flash Point: 239.7 °C; (17)Enthalpy of Vaporization: 77.5 kJ/mol; (18)Boiling Point: 472.7 °C at 760 mmHg; (19)Vapour Pressure: 9.7E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NC(C(=O)O)Cc1ccc(OCC)cc1
(2)InChI: InChI=1/C16H23NO5/c1-5-21-12-8-6-11(7-9-12)10-13(14(18)19)17-15(20)22-16(2,3)4/h6-9,13H,5,10H2,1-4H3,(H,17,20)(H,18,19)
(3)InChIKey: NCLAAKQIHUIOIV-UHFFFAOYAR