Boc-N-Me-Tyr-OH.DCHA supplier

Name
BOC-N-ME-TYR-OH
EINECS
CAS No. 95105-25-2
Density
Solubility
Melting Point
Formula C₂₇H₄₄N₂O₅
Boiling Point 626.2 °C at 760 mmHg
Molecular Weight 476.6487
Flash Point 332.5 °C
Transport Information
Appearance
Safety
Risk Codes R22; R42/43
Molecular Structure
Hazard Symbols Xn
Synonyms Boc-N-Me-Tyr-OH DCHA;Boc-MeTyr-OH?DCHA;Boc-N-Me-Tyr-OH·DCHA;(2S)-2-(tert-butoxycarbonyl-methyl-amino)-3-(4-hydroxyphenyl)propanoic acid; N-cyclohexylcyclohexanamine;
PSA 99.10000
LogP 5.88710

Boc-N-Me-Tyr-OH.DCHA Specification

The Boc-N-Me-Tyr-OH.DCHA, with the CAS registry number 95105-25-2, has the systematic name of (2S)-2-(tert-butoxycarbonyl-methyl-amino)-3-(4-hydroxyphenyl)propanoic acid. It belongs to the product categories of N-Methyl Amino Acids and Boc-Amino acid series. The molecular formula of the chemical is C₂₇H₄₄N₂O₅.

The characteristics of Boc-N-Me-Tyr-OH.DCHA are as followings: (1)ACD/LogP: 6.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.9; (4)ACD/LogD (pH 7.4): 3.9; (5)#H bond acceptors: 7; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 9; (8)Polar Surface Area: 99.1 Å²; (9)Flash Point: 332.5 °C; (10)Enthalpy of Vaporization: 97.44 kJ/mol; (11)Boiling Point: 626.2 °C at 760 mmHg; (12)Vapour Pressure: 1.52E-16 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)OC(C)(C)C.C1CCCCC1NC2CCCCC2
(2)InChI: InChI=1/C15H21NO5.C12H23N/c1-15(2,3)21-14(20)16(4)12(13(18)19)9-10-5-7-11(17)8-6-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-8,12,17H,9H2,1-4H3,(H,18,19);11-13H,1-10H2/t12-;/m0./s1
(3)InChIKey: DVADYPVUIPQNGV-YDALLXLXBY

Product Name

BOC-N-ME-TYR-OH

Boc-N-Me-Tyr-OH.DCHA Specification

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