3-(2-Naphthyl)-L-Alanine supplier

Name
3-(2-Naphthyl)-L-alanine
EINECS
CAS No. 58438-03-2
Article Data15
CAS DataBase
Density 1.254 g/cm³
Solubility
Melting Point 240-253 °C
Formula C₁₃H₁₃NO₂
Boiling Point 412.3 °C at 760 mmHg
Molecular Weight 215.252
Flash Point 203.2 °C
Transport Information
Appearance off-white crystalline powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
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;
PSA 63.32000
LogP 2.49450

3-(2-Naphthyl)-L-Alanine Specification

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

Product Name

3-(2-Naphthyl)-L-alanine

3-(2-Naphthyl)-L-Alanine Specification

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