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80102-27-8

Basic Information
CAS No.: 80102-27-8
Name: BOC-4-Methyl-D-phenylalanine
Article Data: 1
Molecular Structure:
Molecular Structure of 80102-27-8 (BOC-4-Methyl-D-phenylalanine)
Formula: C15H21NO4
Molecular Weight: 279.34
Synonyms: (R)-2-[(tert-Butoxycarbonyl)amino]-3-(4-methylphenyl)propionicacid;N-(tert-butoxycarbonyl)-4-methyl-D-phenylalanine;(2R)-3-(4-Methylphenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid;4-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine;D-phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-methyl-;N-(tert-Butoxycarbonyl)-4-methyl-D-phenylalanine;Boc-4-Methyl-D-phenylalanine;Boc-D-4-Methylphe;
Density: 1.14 g/cm3
Melting Point: 84-88 °C
Boiling Point: 440.4 °C at 760 mmHg
Flash Point: 220.2 °C
Hazard Symbols: IrritantXi
PSA: 75.63000
LogP: 2.90630
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    80102-27-8

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    80102-27-8

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    80102-27-8

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  • BOC-4-Methyl-D-phenylalanine

  • Casno:

    80102-27-8

    BOC-4-Methyl-D-phenylalanine

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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Specification

The Boc-4-Methyl-D-phenylalanine, with the CAS registry number 80102-27-8, has the systematic name of N-(tert-butoxycarbonyl)-4-methyl-D-phenylalan. It belongs to the product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Amino Acid Derivatives; a-amino. And the molecular formula of the chemical is C15H21NO4.

The characteristics of Boc-4-Methyl-D-phenylalanine are as followings: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): -0.11; (5)ACD/BCF (pH 5.5): 2.16; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.92; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 75.28 cm3; (15)Molar Volume: 244.9 cm3; (16)Polarizability: 29.84×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 220.2 °C; (20)Enthalpy of Vaporization: 73.52 kJ/mol; (21)Boiling Point: 440.4 °C at 760 mmHg; (22)Vapour Pressure: 1.56E-08 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(cc1)C
(2)InChI: InChI=1/C15H21NO4/c1-10-5-7-11(8-6-10)9-12(13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m1/s1
(3)InChIKey: JYRWNPUFECDJCX-GFCCVEGCBS