BOC-D-MEPHE-OH supplier | CasNO.85466-66-6

Name
BOC-D-MEPHE-OH
EINECS
CAS No. 85466-66-6
Article Data9
CAS DataBase
Density 1.146 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 66.84000
LogP 2.54920

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

Product Name

BOC-D-MEPHE-OH

BOC-D-MEPHE-OH Specification

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