L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-α-methyl- supplier

Name
BOC-ALPHA-METHYL-D-PHE
EINECS
CAS No. 53940-88-8
Article Data6
CAS DataBase
Density 1.141 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₁NO₄
Boiling Point 432.115 °C at 760 mmHg
Molecular Weight 279.336
Flash Point 215.135 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-2-(tert-Butoxycarbonylamino)-2-methyl-3-phenylpropanoicacid;
PSA 75.63000
LogP 2.98800

L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-α-methyl- Specification

The L-Phenylalanine, N-[(1, 1-dimethylethoxy)carbonyl]-α-methyl-, with the CAS registry number 53940-88-8, is also known as N-Boc-α-methyl-D-phenylalanine. It belongs to the product category of Unusual Amino Acids. This chemical's molecular formula is C₁₅H₂₁NO₄ and molecular weight is 279.33. What's more, its systematic name is N-(tert-Butoxycarbonyl)-α-methylphenylalanine.

Physical properties about L-Phenylalanine, N-[(1, 1-dimethylethoxy)carbonyl]-α-methyl- are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 15; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 75.63 Å²; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 75.098 cm³; (14)Molar Volume: 244.818 cm³; (15)Polarizability: 29.771×10^-24 cm³; (16)Surface Tension: 43.032 dyne/cm; (17)Density: 1.141 g/cm³; (18)Flash Point: 215.135 °C; (19)Enthalpy of Vaporization: 72.505 kJ/mol; (20)Boiling Point: 432.115 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)NC(C(=O)O)(Cc1ccccc1)C
(2) InChI: InChI=1/C15H21NO4/c1-14(2,3)20-13(19)16-15(4,12(17)18)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,16,19)(H,17,18)
(3) InChIKey: FAXPKABRZLISKX-UHFFFAOYAZ

Product Name

BOC-ALPHA-METHYL-D-PHE

L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-α-methyl- Specification

Related Products

Hot Products