L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester supplier

Name
BOC-PHE-ONP
EINECS 231-404-7
CAS No. 7535-56-0
Article Data18
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point 127-128 °C
Formula C₂₀H₂₂N₂O₆
Boiling Point 558.4 °C at 760 mmHg
Molecular Weight 386.404
Flash Point 291.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Alanine,N-carboxy-3-phenyl-, N-tert-butyl p-nitrophenyl ester (7CI);Alanine, N-carboxy-3-phenyl-,N-tert-butyl p-nitrophenyl ester, L- (8CI);BOC-L-Phenylalanine p-nitrophenylester;N-(tert-Butoxycarbonyl)-L-phenylalanine p-nitrophenyl ester;N-(tert-Butoxycarbonyl)phenylalanine 4-nitrophenyl ester;N-(tert-Butoxycarbonyl)phenylalanine p-nitrophenyl ester;N-(tert-Butyloxycarbonyl)-L-phenylalanine 4-nitrophenyl ester;N-(tert-Butyloxycarbonyl)-L-phenylalanine p-nitrophenyl ester;Boc-Phe-ONP;
PSA 110.45000
LogP 4.55030

L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester Specification

The L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester, with the CAS registry number 7535-56-0, is also known as Boc-L-phenylalanine 4-nitrophenyl ester. It belongs to the product category of Amino Acids. Its EINECS number is 231-404-7. This chemical's molecular formula is C₂₀H₂₂N₂O₆ and molecular weight is 386.4. What's more, its systematic name is 4-nitrophenyl N-(tert-butoxycarbonyl)-L-phenylalaninate. Its storage temperature is -20 °C.

Physical properties of L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester are: (1)ACD/LogP: 4.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.81; (4)ACD/LogD (pH 7.4): 4.81; (5)ACD/BCF (pH 5.5): 2648.83; (6)ACD/BCF (pH 7.4): 2647.86; (7)ACD/KOC (pH 5.5): 9813.33; (8)ACD/KOC (pH 7.4): 9809.73; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 101.66 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 101.71 cm³; (15)Molar Volume: 311.3 cm³; (16)Polarizability: 40.32×10^-24 cm³; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 291.5 °C; (20)Enthalpy of Vaporization: 84.05 kJ/mol; (21)Boiling Point: 558.4 °C at 760 mmHg; (22)Vapour Pressure: 1.67E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(Oc1ccc(cc1)[N+]([O-])=O)[C@@H](NC(=O)OC(C)(C)C)Cc2ccccc2
(2)InChI: InChI=1/C20H22N2O6/c1-20(2,3)28-19(24)21-17(13-14-7-5-4-6-8-14)18(23)27-16-11-9-15(10-12-16)22(25)26/h4-12,17H,13H2,1-3H3,(H,21,24)/t17-/m0/s1
(3)InChIKey: QZIWWFMMLBBICG-KRWDZBQOBN

Product Name

BOC-PHE-ONP

L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester Specification

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