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CAS No.: | 40163-88-0 |
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Name: | BOC-MEPHE-OH DCHA |
Molecular Structure: | |
Formula: | C27H44N2O4 |
Molecular Weight: | 460.65 |
Synonyms: | BOC-N-ME-PHE.DCHA;Boc-N-Me-Phe DCHA;Boc-MePhe-OH.DCHA;Boc-N-Me-Phe·DCHA; |
Melting Point: | 174-177 °C |
Boiling Point: | 587.7 °C at 760 mmHg |
Flash Point: | 309.2 °C |
PSA: | 86.28000 |
LogP: | 3.42970 |
The Boc-N-methyl-L-phenylalanine (dicyclohexylammonium) salt, with the CAS registry number 40163-88-0, has the systematic name of N-(tert-butoxycarbonyl)-N-methyl-L-phenylalanine - N-cyclohexylcyclohexanamine (1:1). It belongs to the following product categories: Amino Acid Derivatives; N-Methyl Amino Acids; Boc-Amino acid series. And the molecular formula of the chemical is C27H44N2O4.
The characteristics of Boc-N-methyl-L-phenylalanine (dicyclohexylammonium) salt are as followings: (1)ACD/LogP: 7.14; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 59.08 Å2 ; (7)Flash Point: 309.2 °C; (8)Enthalpy of Vaporization: 92.29 kJ/mol; (9)Boiling Point: 587.7 °C at 760 mmHg; (10)Vapour Pressure: 1.17E-14 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)[C@H](C(=O)O)Cc1ccccc1.N(C1CCCCC1)C2CCCCC2
(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-;/m0./s1
(3)InChIKey: MFORGORUOHHLHW-YDALLXLXBD