CAS No.37439-99-9,(S)-N-Acetyl-2-naphthylalanine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	37439-99-9
Name:	(S)-N-Acetyl-2-naphthylalanine
Article Data:	19

Formula:	C₁₅H₁₅NO₃
Molecular Weight:	257.289
Synonyms:	N-Acetyl-3-naphth-2-yl-L-alanine;(S)-2-Acetamido-3-(naphthalen-2-yl)propanoic acid;
Density:	1.243 g/cm³
Melting Point:	185-186 °C
Boiling Point:	530.7 °C at 760 mmHg
Flash Point:	274.8 °C
Hazard Symbols:	Xi
PSA:	66.40000
LogP:	2.36250

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Specification

The (S)-N-Acetyl-2-naphthylalanine, with the CAS registry number of 37439-99-9, is also known as N-Acetyl-3-naphth-2-yl-L-alanine. It belongs to the product category of API intermediates. This chemical's molecular formula is C₁₅H₁₅NO₃ and molecular weight is 257.28. What's more, its systematic name is 1-Naphthaleneacetic acid, alpha-(acetylamino)-alpha-methyl-, (alphaS)-.

Physical properties about the (S)-N-Acetyl-2-naphthylalanine are: (1)ACD/LogP: 2.17; (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): 2.4; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 66.4 Å²; (11)Index of Refraction: 1.614; (12)Molar Refractivity: 72.3 cm³; (13)Molar Volume: 207.3 cm³; (14)Surface Tension: 50.9 dyne/cm; (15)Density: 1.241 g/cm³; (16)Flash Point: 274.8 °C; (17)Enthalpy of Vaporization: 84.85 kJ/mol; (18)Boiling Point: 530.7 °C at 760 mmHg; (19)Vapour Pressure: 4.3E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:CC(=O)N[C@@](C)(c1cccc2c1cccc2)C(=O)O
(2) InChI:InChI=1/C15H15NO3/c1-10(17)16-15(2,14(18)19)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1-2H3,(H,16,17)(H,18,19)/t15-/m0/s1
(3) InChIKey:UDVGRQQFJMGOJL-HNNXBMFYBN