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BOC-D-MEPHE-OH

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Name

BOC-D-MEPHE-OH

EINECS N/A
CAS No. 85466-66-6 Density 1.146 g/cm3
PSA 66.84000 LogP 2.54920
Solubility N/A Melting Point 84.0 to 88.0 °C
Formula C15H21NO4 Boiling Point 405 °C at 760 mmHg
Molecular Weight 279.336 Flash Point 198.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 85466-66-6 (BOC-D-MEPHE-OH) Hazard Symbols N/A
Synonyms

(R)-2-[N-Methyl-N-[(tert-butoxy)carbonyl]amino]-3-phenylpropanoicacid;N-BOC-N-methyl-D-phenylalanine;N-(tert-Butoxycarbonyl)-N-methyl-D-phenylalanine;

Article Data 9

BOC-D-MEPHE-OH Specification

The BOC-D-MEPHE-OH, with the CAS registry number 85466-66-6, is also known as N-BOC-N-methyl-D-phenylalanine. It belongs to the product category of Phenylalanine [Phe, F]. This chemical's molecular formula is C15H21NO4 and molecular weight is 279.33. What's more, its systematic name is N-(tert-butoxycarbonyl)-N-methyl-D-phenylalanine.

Physical properties of BOC-D-MEPHE-OH are: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): -0.08; (5)ACD/BCF (pH 5.5): 2.33; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.92; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 75.21 cm3; (15)Molar Volume: 243.5 cm3; (16)Polarizability: 29.81×10-24cm3; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.146 g/cm3; (19)Flash Point: 198.8 °C; (20)Enthalpy of Vaporization: 69.23 kJ/mol; (21)Boiling Point: 405 °C at 760 mmHg; (22)Vapour Pressure: 2.75E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N([C@@H](C(=O)O)Cc1ccccc1)C
(2)InChI: InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16(4)12(13(17)18)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,17,18)/t12-/m1/s1
(3)InChIKey: AJGJINVEYVTDNH-GFCCVEGCSA-N

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