Boc-N-methyl-D-phenylalanine (dicyclohexylammonium) salt supplier

Name
BOC-D-MEPHE-OH DCHA
EINECS
CAS No. 102185-45-5
Density
Solubility
Melting Point
Formula C₂₇H₄₄N₂O₄
Boiling Point 587.7 °C at 760 mmHg
Molecular Weight 460.657
Flash Point 309.2 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms BOC-D-MEPHE-OH DCHA;BOC-D-N-ME-PHE.DCHA;Boc-D-N-Me-Phe·DCHA;
PSA 78.87000
LogP 6.18150

Boc-N-methyl-D-phenylalanine (dicyclohexylammonium) salt Specification

The Boc-N-methyl-D-phenylalanine (dicyclohexylammonium) salt, with the CAS registry number 102185-45-5, has the systematic name of (2R)-2-(tert-butoxycarbonyl-methyl-amino)-3-phenyl-propanoic acid; N-cyclohexylcyclohexanamine. It belongs to the product categories of N-Methyl Amino Acids and Boc-Amino acid series. And the molecular formula of the chemical is C₂₇H₄₄N₂O₄.

The characteristics of Boc-N-methyl-D-phenylalanine (dicyclohexylammonium) salt are as followings: (1)ACD/LogP: 7.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.64; (4)ACD/LogD (pH 7.4): 4.64; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 8; (8)Polar Surface Area: 78.87 Å²; (9)Flash Point: 309.2 °C; (10)Enthalpy of Vaporization: 92.29 kJ/mol; (11)Boiling Point: 587.7 °C at 760 mmHg; (12)Vapour Pressure: 1.17E-14 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C.C1CCCCC1NC2CCCCC2
(2)InChI: InChI=1/C15H21NO4.C12H23N/c1-15(2,3)20-14(19)16(4)12(13(17)18)10-11-8-6-5-7-9-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-9,12H,10H2,1-4H3,(H,17,18);11-13H,1-10H2/t12-;/m1./s1
(3)InChIKey: MFORGORUOHHLHW-UTONKHPSBF

Product Name

BOC-D-MEPHE-OH DCHA

Boc-N-methyl-D-phenylalanine (dicyclohexylammonium) salt Specification

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