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CAS No.: | 5440-48-2 |
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Name: | 2-acetamido-3-naphthalen-1-yl-propanoic acid |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C15H15NO3 |
Molecular Weight: | 257.289 |
Synonyms: | N-Acetyl-3-naphthalen-1-ylalanine;2-Acetamido-3-naphthalen-1-yl-propanoic acid; |
Density: | 1.243 g/cm3 |
Boiling Point: | 543.4 °C at 760 mmHg |
Flash Point: | 282.5 °C |
PSA: | 66.40000 |
LogP: | 2.36250 |
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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