Boc-L-phenylalanine methyl ester supplier

Name
BOC-PHE-OME
EINECS
CAS No. 51987-73-6
Article Data175
CAS DataBase
Density 1.1 g/cm³
Solubility
Melting Point 36-40 °C(lit.)
Formula C₁₅H₂₁NO₄
Boiling Point 403.75 °C at 760 mmHg
Molecular Weight 279.336
Flash Point 197.981 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms (S)-2-tert-Butoxycarbonylamino-3-phenylpropanoicacid methyl ester;N-(tert-Butoxycarbonyl)-L-phenylalanine methyl ester;Methyl N-(tert-butoxycarbonyl)-L-phenylalaninate;
PSA 64.63000
LogP 2.68630

Boc-L-phenylalanine methyl ester Specification

The Boc-L-phenylalanine methyl ester, with the CAS registry number 51987-73-6, has the systematic name of methyl N-(tert-butoxycarbonyl)-L-phenylalaninate. It should be stored at 2-8°C, and belongs to the product category of Amino Acids. The molecular formula of the chemical is C₁₅H₂₁NO₄.

The characteristics of Boc-L-phenylalanine methyl ester are as followings: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 219; (6)ACD/BCF (pH 7.4): 219; (7)ACD/KOC (pH 5.5): 1649; (8)ACD/KOC (pH 7.4): 1648; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 64.63 Å²; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 75.301 cm³; (15)Molar Volume: 254.003 cm³; (16)Polarizability: 29.852×10^-24cm³; (17)Surface Tension: 38.391 dyne/cm; (18)Density: 1.1 g/cm³; (19)Flash Point: 197.981 °C; (20)Enthalpy of Vaporization: 65.509 kJ/mol; (21)Boiling Point: 403.75 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed, and it also 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: O=C(OC(C)(C)C)N[C@H](C(=O)OC)Cc1ccccc1
(2)InChI: InChI=1/C15H21NO4/c1-15(2,3)20-14(18)16-12(13(17)19-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,18)/t12-/m0/s1
(3)InChIKey: SDSWSVBXRBXPRL-LBPRGKRZBW

Product Name

BOC-PHE-OME

Boc-L-phenylalanine methyl ester Specification

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