CAS No.127095-97-0,BOC-3,4-DIMETHOXY-L-PHENYLALANINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	127095-97-0
Name:	BOC-3,4-DIMETHOXY-L-PHENYLALANINE
Article Data:	6

Formula:	C₁₆H₂₃NO₆
Molecular Weight:	325.362
Synonyms:	(2S)-2-[(tert-Butoxycarbonyl)amino]-3-(3,4-dimethoxyphenyl)propionicacid;
Density:	1.176g/cm³
Boiling Point:	482.706 °C at 760 mmHg
Flash Point:	245.732 °C
PSA:	94.09000
LogP:	2.61510

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Specification

The L-Tyrosine,N-[(1,1-dimethylethoxy)carbonyl]-3-methoxy-O-methyl-, with CAS registry number 127095-97-0, has the systematic name of N-(tert-butoxycarbonyl)-3-methoxy-O-methyl-L-tyrosine. This chemical should be stored at the temperature of 0°C. And the chemical formula of this chemical is C₁₆H₂₃NO₆.

Physical properties of L-Tyrosine,N-[(1,1-dimethylethoxy)carbonyl]-3-methoxy-O-methyl-: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 94.09 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 83.815 cm³; (15)Molar Volume: 276.645 cm³; (16)Polarizability: 33.227×10^-24cm³; (17)Surface Tension: 41.671 dyne/cm; (18)Density: 1.176 g/cm³; (19)Flash Point: 245.732 °C; (20)Enthalpy of Vaporization: 78.753 kJ/mol; (21)Boiling Point: 482.706 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1cc(OC)c(OC)cc1
(2)InChI: InChI=1/C16H23NO6/c1-16(2,3)23-15(20)17-11(14(18)19)8-10-6-7-12(21-4)13(9-10)22-5/h6-7,9,11H,8H2,1-5H3,(H,17,20)(H,18,19)/t11-/m0/s1
(3)InChIKey: ADWMFTMMXMHMHB-NSHDSACABG
(4)Std. InChI: InChI=1S/C16H23NO6/c1-16(2,3)23-15(20)17-11(14(18)19)8-10-6-7-12(21-4)13(9-10)22-5/h6-7,9,11H,8H2,1-5H3,(H,17,20)(H,18,19)/t11-/m0/s1
(5)Std. InChIKey: ADWMFTMMXMHMHB-NSHDSACASA-N