1-Naphthalenepropanoic acid, α-(acetylamino)- supplier

Name
2-acetamido-3-naphthalen-1-yl-propanoic acid
EINECS
CAS No. 5440-48-2
Article Data9
CAS DataBase
Density 1.243 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₅NO₃
Boiling Point 543.4 °C at 760 mmHg
Molecular Weight 257.289
Flash Point 282.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Acetyl-3-naphthalen-1-ylalanine;2-Acetamido-3-naphthalen-1-yl-propanoic acid;
PSA 66.40000
LogP 2.36250

1-Naphthalenepropanoic acid, α-(acetylamino)- Specification

The 1-Naphthalenepropanoic acid, α-(acetylamino)-, with the CAS registry number 5440-48-2, is also known as 2-Acetamido-3-naphthalen-1-yl-propanoic acid. This chemical's molecular formula is C₁₅H₁₅NO₃ and molecular weight is 257.28. What's more, its systematic name is N-acetyl-3-naphthalen-1-ylalanine.

Physical properties of 1-Naphthalenepropanoic acid, α-(acetylamino)- are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.65; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 46.61 Å²; (11)Index of Refraction: 1.62; (12)Molar Refractivity: 72.69 cm³; (13)Molar Volume: 206.8 cm³; (14)Polarizability: 28.81×10^-24cm³; (15)Surface Tension: 53.4 dyne/cm; (16)Density: 1.243 g/cm³; (17)Flash Point: 282.5 °C; (18)Enthalpy of Vaporization: 86.49 kJ/mol; (19)Boiling Point: 543.4 °C at 760 mmHg Vapour Pressure: 1.21E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(NC(=O)C)Cc2cccc1ccccc12
(2)InChI: InChI=1S/C15H15NO3/c1-10(17)16-14(15(18)19)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14H,9H2,1H3,(H,16,17)(H,18,19)
(3)InChIKey: RGIWZNSMSXQWLY-UHFFFAOYSA-N

Product Name

2-acetamido-3-naphthalen-1-yl-propanoic acid

1-Naphthalenepropanoic acid, α-(acetylamino)- Specification

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