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Basic Information
CAS No.: 740-57-8
Name: H-PHE-BETANA
Article Data: 4
Molecular Structure:
Molecular Structure of 740-57-8 (H-PHE-BETANA)
Formula: C19H18N2O
Molecular Weight: 290.365
Synonyms: Benzenepropanamide,a-amino-N-2-naphthalenyl-, (S)-;Hydrocinnamamide, a-amino-N-2-naphthyl-, L- (7CI,8CI);L-Phenylalanine-2-naphthylamide;L-Phenylalanine-b-naphthylamide;L-Phenylalanyl-b-naphthylamide;N-L-Phenylalanyl-2-naphthylamide;Phenylalanine b-naphthylamide;Phenylalanyl-b-naphthylamide;
EINECS: 212-009-9
Density: 1.22 g/cm3
Melting Point: 129-131 °C(lit.)
Boiling Point: 550.4 °C at 760 mmHg
Flash Point: 286.7 °C
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-40
Safety: 22-36
PSA: 55.12000
LogP: 4.12160
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Specification

This chemical is called Benzenepropanamide, α-amino-N-2-naphthalenyl-, (alphaS)-, and its systematic name is N-naphthalen-2-yl-L-phenylalaninamide. With the molecular formula of C19H18N2O, its molecular weight is 290.36. The CAS registry number of this chemical is 740-57-8. Additionally, its product categories are Amino Acids; I - Z; Modified Amino Acids.

Other characteristics of the Benzenepropanamide, α-amino-N-2-naphthalenyl-, (alphaS)- can be summarised as followings: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.48; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 3.54; (6)ACD/BCF (pH 7.4): 73.56; (7)ACD/KOC (pH 5.5): 33.36; (8)ACD/KOC (pH 7.4): 693.33; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.69; (14)Molar Refractivity: 90.98 cm3; (15)Molar Volume: 237.8 cm3; (16)Polarizability: 36.06×10-24cm3; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.22 g/cm3; (19)Flash Point: 286.7 °C; (20)Enthalpy of Vaporization: 83.05 kJ/mol; (21)Boiling Point: 550.4 °C at 760 mmHg; (22)Vapour Pressure: 3.66E-12 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation, in contacting with skin and if swallowed. Do not breathe dust. Wear suitable protective clothing if you use it.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(Nc2ccc1c(cccc1)c2)[C@@H](N)Cc3ccccc3
2.InChI: InChI=1/C19H18N2O/c20-18(12-14-6-2-1-3-7-14)19(22)21-17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13,18H,12,20H2,(H,21,22)/t18-/m0/s1 3.InChIKey: QUOLUWPVABJBKU-SFHVURJKBL