Boc-2-methyl-L-phenylalanine supplier

Name
BOC-L-2-Methylphe
EINECS
CAS No. 114873-05-1
Article Data1
CAS DataBase
Density 1.14 g/cm³
Solubility
Melting Point 113 °C
Formula C₁₅H₂₁NO₄
Boiling Point 442.5 °C at 760 mmHg
Molecular Weight 279.336
Flash Point 221.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms (2S)-2-[(tert-Butoxycarbonyl)amino]-3-(2-methylphenyl)propionicacid;(2S)-3-(2-Methylphenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid;2-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine;N-(tert-Butoxycarbonyl)-2-methyl-L-phenylalanin;N-(tert-Butoxycarbonyl)-2-methyl-L-phenylalanine;
PSA 75.63000
LogP 2.90630

Boc-2-methyl-L-phenylalanine Specification

The Boc-2-methyl-L-phenylalanine, with the CAS registry number 114873-05-1, has the IUPAC name of (2S)-3-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino] propanoic acid. It belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; a-amino. And the molecular formula of the chemical is C₁₅H₂₁NO₄.

The characteristics of Boc-2-methyl-L-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): 2.19; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.11; (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: 221.4 °C; (20)Enthalpy of Vaporization: 73.78 kJ/mol; (21)Boiling Point: 442.5 °C at 760 mmHg; (22)Vapour Pressure: 1.31E-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)Cc1ccccc1C
(2)InChI: InChI=1/C15H21NO4/c1-10-7-5-6-8-11(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-/m0/s1
(3)InChIKey: PCGOCPOJLMLJAR-LBPRGKRZBP

Product Name

BOC-L-2-Methylphe

Boc-2-methyl-L-phenylalanine Specification

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