CAS No.82038-34-4,Boc-N-Me-Tyr-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	82038-34-4
Name:	Boc-N-Me-Tyr-OH
Article Data:	6

Formula:	C₁₅H₂₁NO₅
Molecular Weight:	295.335
Synonyms:	N-tert-Butoxycarbonyl-N-methyl-L-tyrosine;N-(tert-butoxycarbonyl)-N-methyl-L-tyrosine;(2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-3-(4-hydroxyphenyl)propanoic acid;
Density:	1.22 g/cm³
Melting Point:	140-142℃
Boiling Point:	458.4 °C at 760 mmHg
Flash Point:	231 °C
Appearance:	White powder
PSA:	87.07000
LogP:	2.25480

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Specification

The Boc-N-Me-Tyr-OH, with the CAS registry number 82038-34-4, has the systematic name of N-(tert-butoxycarbonyl)-N-methyl-L-tyrosine. It belongs to the product category of Tyrosine [Tyr, Y]. And the molecular formula of the chemical is C₁₅H₂₁NO₅.

The characteristics of Boc-N-Me-Tyr-OH are as followings: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4): -0.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.31; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 65.07 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 77.09 cm³; (15)Molar Volume: 242 cm³; (16)Polarizability: 30.56×10^-24cm³; (17)Surface Tension: 49.5 dyne/cm; (18)Density: 1.22 g/cm³; (19)Flash Point: 231 °C; (20)Enthalpy of Vaporization: 75.73 kJ/mol; (21)Boiling Point: 458.4 °C at 760 mmHg; (22)Vapour Pressure: 3.38E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N([C@H](C(=O)O)Cc1ccc(O)cc1)C
(2)InChI: InChI=1/C15H21NO5/c1-15(2,3)21-14(20)16(4)12(13(18)19)9-10-5-7-11(17)8-6-10/h5-8,12,17H,9H2,1-4H3,(H,18,19)/t12-/m0/s1
(3)InChIKey: APVBZIOLJVJCLT-LBPRGKRZBE