Phenylalanine,N-acetyl-, 2-naphthalenyl ester supplier

Name
AC-DL-PHE-BETA-NAPHTHYL ESTER
EINECS
CAS No. 20874-31-1
Density 1.2 g/cm³
Solubility
Melting Point
Formula C₂₁H₁₉NO₃
Boiling Point 589.8 °C at 760 mmHg
Molecular Weight 333.387
Flash Point 310.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Alanine,N-acetyl-3-phenyl-, 2-naphthyl ester, DL- (8CI);Acetyl-DL-phenylalanine b-naphthyl ester;N-Acetyl-DL-phenylalanine b-naphthyl ester;NAPNE;NSC 87855;DL-Phenylalanine, N-acetyl-,2-naphthalenyl ester;
PSA 55.40000
LogP 3.88350

Phenylalanine,N-acetyl-, 2-naphthalenyl ester Specification

The Phenylalanine,N-acetyl-, 2-naphthalenyl ester, with the CAS registry number 20874-31-1, is also known as Naphthalen-2-yl N-acetylphenylalaninate. It belongs to the product categories of A - H; Amino Acids; Modified Amino Acids. This chemical's molecular formula is C₂₁H₁₉NO₃ and molecular weight is 333.38. What's more, its IUPAC name is called Naphthalen-2-yl 2-acetamido-3-phenylpropanoate.

Physical properties about Phenylalanine,N-acetyl-, 2-naphthalenyl ester are: (1) ACD/LogP: 3.92; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.92; (4) ACD/LogD (pH 7.4): 3.92; (5) ACD/BCF (pH 5.5): 558.91; (6) ACD/BCF (pH 7.4): 558.91; (7) ACD/KOC (pH 5.5): 3222.19; (8) ACD/KOC (pH 7.4): 3222.19; (9) #H bond acceptors: 4; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 6; (12) Polar Surface Area: 46.61 Å²; (13) Index of Refraction: 1.618; (14) Molar Refractivity: 97.4 cm³; (15) Molar Volume: 277.7 cm³; (16) Surface Tension: 48.9 dyne/cm; (17) Density: 1.2 g/cm³; (18) Flash Point: 310.5 °C; (19) Enthalpy of Vaporization: 88.01 kJ/mol; (20) Boiling Point: 589.8 °C at 760 mmHg; (21) Vapour Pressure: 6.93E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC(C(=O)Oc2ccc1c(cccc1)c2)Cc3ccccc3)C
(2) InChI: InChI=1/C21H19NO3/c1-15(23)22-20(13-16-7-3-2-4-8-16)21(24)25-19-12-11-17-9-5-6-10-18(17)14-19/h2-12,14,20H,13H2,1H3,(H,22,23)
(3) InChIKey: BBXRRTJNJCPGBU-UHFFFAOYAY

Product Name

AC-DL-PHE-BETA-NAPHTHYL ESTER

Phenylalanine,N-acetyl-, 2-naphthalenyl ester Specification

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