3-(2-Naphthyl)-D-alanine

The IUPAC name of 3-(2-Naphthyl)-D-alanine is (2R)-2-azaniumyl-3-naphthalen-2-ylpropanoate. With the CAS registry number 76985-09-6, it is also named as (S)-2-Amino-3-naphthalen-2-yl-propionic acid. The product's categories are Pharmaceutical Raw Materials; Amino Acids; Phenylalanine Analogs and other Aromatic Alpha Amino Acids; Alanine [Ala, A]; Unusual Amino Acids; AlanineAmino Acids; Amino Acid Derivatives; Alanine DerivativesAmino Acids; I - Z; Modified Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives; A-amino. Besides, it is white fine powder, which should be stored in sealed container in a cool, dry place away from oxidizing agents. In addition, when you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes.

The other characteristics of 3-(2-Naphthyl)-D-alanine can be summarized as: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.15; (4)ACD/LogD (pH 7.4): -0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.42; (8)ACD/KOC (pH 7.4): 1.4; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 63.33 cm³; (15)Molar Volume: 171.5 cm³; (16)Polarizability: 25.1×10^-24cm³; (17)Surface Tension: 59.1 dyne/cm; (18)Density: 1.254 g/cm³; (19)Flash Point: 203.2 °C; (20)Enthalpy of Vaporization: 70.11 kJ/mol; (21)Boiling Point: 412.3 °C at 760 mmHg; (22)Vapour Pressure: 1.54E-07 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@H](N)Cc2ccc1c(cccc1)c2
(2)InChI: InChI=1/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m1/s1
(3)InChIKey: JPZXHKDZASGCLU-GFCCVEGCBM
(4)Std. InChI: InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m1/s1
(5)Std. InChIKey: JPZXHKDZASGCLU-GFCCVEGCSA-N