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CAS No.: | 58438-03-2 |
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Name: | 3-(2-Naphthyl)-L-alanine |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C13H13NO2 |
Molecular Weight: | 215.252 |
Synonyms: | 2-Naphthalenepropanoicacid, a-amino-, (S)-;(S)-3-(2-Naphthyl)alanine;L-3-(2-Naphthyl)alanine;L-b-(2-Naphthyl)alanine;b-2-Naphthyl-L-alanine; |
Density: | 1.254 g/cm3 |
Melting Point: | 240-253 °C |
Boiling Point: | 412.3 °C at 760 mmHg |
Flash Point: | 203.2 °C |
Appearance: | off-white crystalline powder |
Hazard Symbols: | Xi |
Safety: | 24/25 |
PSA: | 63.32000 |
LogP: | 2.49450 |
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The IUPAC name of 3-(2-Naphthyl)-L-Alanine is (2S)-2-amino-3-naphthalen-2-ylpropanoic acid. With the CAS registry number 58438-03-2, it is also named as (R)-2-Amino-3-naphthalene-2-yl-propionic acid. The product's categories are Amino Acids; Alanine [Ala, A]; Unusual Amino Acids; A-Amino. Besides, it is off-white crystalline powder, which should be stored at 2-8 °C. In addition, when you are using this chemical, please avoid contact with skin and eyes. And this product is used as organic reagent and pharmaceutical intermediate.
The other characteristics of 3-(2-Naphthyl)-L-Alanine can be summarized as: (1)ACD/LogP: 1.42; (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; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 63.32 Å2; (11)Index of Refraction: 1.66; (12)Molar Refractivity: 63.336 cm3; (13)Molar Volume: 171.553 cm3; (14)Polarizability: 25.108×10-24cm3; (15)Surface Tension: 59.121 dyne/cm; (16)Density: 1.255 g/cm3; (17)Flash Point: 203.162 °C; (18)Melting Point: 240-253 °C; (19)Enthalpy of Vaporization: 70.109 kJ/mol; (20)Boiling Point: 412.317 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)N
(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-/m0/s1
(3)InChIKey: JPZXHKDZASGCLU-LBPRGKRZBC
(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-/m0/s1
(5)Std. InChIKey: JPZXHKDZASGCLU-LBPRGKRZSA-N