Acetylphenylalanine methyl ester supplier

Name
AC-PHE-OME
EINECS
CAS No. 3618-96-0
Article Data363
CAS DataBase
Density 1.117 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO₃
Boiling Point 391 °C at 760 mmHg
Molecular Weight 221.256
Flash Point 190.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-(+)-N-Acetylphenylalanine methyl ester;(S)-N-Acetylphenylalanine methyl ester;Acetyl-L-phenylalaninemethyl ester;L-(+)-Methyl N-acetylphenylalaninate;L-Methyl N-acetylphenylalaninate;Methyl N-acetyl-L-phenylalaninate;MethylN-acetylphenylalaninate;N-Acetyl-L-phenylalaninemethyl ester;NSC 43116;
PSA 55.40000
LogP 1.29770

Acetylphenylalanine methyl ester Specification

The L-Phenylalanine,N-acetyl-, methyl ester, with the CAS registry number 3618-96-0, has the systematic name of methyl N-acetyl-L-phenylalaninate. It belongs to the following product categories: Amino Acid Derivatives; Amino Acids. And the molecular formula of the chemical is C₁₂H₁₅NO₃. What's more, it should be stored at 0-5°C.

The characteristics of L-Phenylalanine,N-acetyl-, methyl ester are as followings: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 3.88; (6)ACD/BCF (pH 7.4): 3.88; (7)ACD/KOC (pH 5.5): 91.86; (8)ACD/KOC (pH 7.4): 91.86; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 59.69 cm³; (15)Molar Volume: 198 cm³; (16)Polarizability: 23.66×10^-24cm³; (17)Surface Tension: 40 dyne/cm; (18)Density: 1.117 g/cm³; (19)Flash Point: 190.3 °C; (20)Enthalpy of Vaporization: 64.05 kJ/mol; (21)Boiling Point: 391 °C at 760 mmHg; (22)Vapour Pressure: 2.55E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)[C@@H](NC(=O)C)Cc1ccccc1
(2)InChI: InChI=1/C12H15NO3/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,14)/t11-/m0/s1
(3)InChIKey: IKGHIFGXPVLPFD-NSHDSACABU

Product Name

AC-PHE-OME

Acetylphenylalanine methyl ester Specification

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