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33605-76-4

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Basic Information
CAS No.: 33605-76-4
Name: FOR-ASP-PHE-OME
Article Data: 6
Molecular Structure:
Molecular Structure of 33605-76-4 (FOR-ASP-PHE-OME)
Formula: C15H18N2O6
Molecular Weight: 322.318
Synonyms: L-Phenylalanine,N-(N-formyl-L-a-aspartyl)-,1-methyl ester;For-L-Asp-L-Phe-OMe;Formylaspartame;1-methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate;CHO-L-Asp-L-Phe-OMe;N-Formyl-L-αAsp-L-Phe-OMe;
EINECS: 251-590-3
Density: 1.296 g/cm3
Melting Point: 138-141℃
Boiling Point: 643.513 °C at 760 mmHg
Flash Point: 342.985 °C
PSA: 121.80000
LogP: 0.89390
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Specification

The CAS register number of L-Phenylalanine,N-formyl-L-a-aspartyl-, 2-methyl ester (9CI) is 33605-76-4. It also can be called as Formylaspartame and the systematic name about this chemical is methyl N-formyl-L-alpha-aspartyl-L-phenylalaninate. The molecular formula about this chemical is C15H18N2O6 and the molecular weight is 322.31.

Physical properties about L-Phenylalanine,N-formyl-L-a-aspartyl-, 2-methyl ester (9CI) are: (1)ACD/LogP: -0.88; (2)ACD/LogD (pH 7.4): -2; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 8; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 121.8 Å2; (11)Index of Refraction: 1.547; (12)Molar Refractivity: 78.895 cm3; (13)Molar Volume: 248.729 cm3; (14)Polarizability: 31.276x10-24cm3; (15)Surface Tension: 53.764 dyne/cm; (16)Density: 1.296 g/cm3; (17)Flash Point: 342.985 °C; (18)Enthalpy of Vaporization: 99.792 kJ/mol; (19)Boiling Point: 643.513 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@H](NC=O)C(=O)N[C@H](C(=O)OC)Cc1ccccc1
(2)InChI: InChI=1/C15H18N2O6/c1-23-15(22)12(7-10-5-3-2-4-6-10)17-14(21)11(16-9-18)8-13(19)20/h2-6,9,11-12H,7-8H2,1H3,(H,16,18)(H,17,21)(H,19,20)/t11-,12-/m0/s1
(3)InChIKey: OSEHTEQTVJQGDE-RYUDHWBXBJ
(4)Std. InChI: InChI=1S/C15H18N2O6/c1-23-15(22)12(7-10-5-3-2-4-6-10)17-14(21)11(16-9-18)8-13(19)20/h2-6,9,11-12H,7-8H2,1H3,(H,16,18)(H,17,21)(H,19,20)/t11-,12-/m0/s1 (5)Std. InChIKey: OSEHTEQTVJQGDE-RYUDHWBXSA-N