Boc-(S)-3-amino-4-(2-naphthyl)-butyric acid supplier

Name
Boc-(S)-3-amino-4-(2-naphthyl)-butyric acid
EINECS
CAS No. 219297-11-7
Density 1.179 g/cm³
Solubility
Melting Point 157-161°C(lit.)
Formula C₁₉H₂₃NO₄
Boiling Point 527.932 °C at 760 mmHg
Molecular Weight 329.396
Flash Point 273.084 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3S)-3-[(tert-butoxycarbonyl)amino]-4-naphthalen-2-ylbutanoic acid;(S)-3-(Boc-amino)-4-(2-naphthyl)butyric acid;Boc-(S)-3-Amino-4-(2-naphthyl)-butyric acid;Boc-4-(2-naphthyl)-L-β-homoalanine;Boc-β-2-Homonal-OH;
PSA 75.63000
LogP 4.14120

Boc-(S)-3-amino-4-(2-naphthyl)-butyric acid Specification

The Boc-(S)-3-Amino-4-(2-Naphthyl)-Butyric Acid, with the CAS registry number 219297-11-7, has the systematic name of (3S)-3-[(tert-butoxycarbonyl)amino]-4-naphthalen-2-ylbutanoic acid. It belongs to the following product categories: 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. And the molecular formula of the chemical is C₁₉H₂₃NO₄. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of Boc-(S)-3-Amino-4-(2-Naphthyl)-Butyric Acid are as followings: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 1.38; (5)ACD/BCF (pH 5.5): 74.57; (6)ACD/BCF (pH 7.4): 1.23; (7)ACD/KOC (pH 5.5): 336.34; (8)ACD/KOC (pH 7.4): 5.53; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 92.93 cm³; (15)Molar Volume: 279.2 cm³; (16)Polarizability: 36.84×10^-24cm³; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.179 g/cm³; (19)Flash Point: 273.1 °C; (20)Enthalpy of Vaporization: 84.49 kJ/mol; (21)Boiling Point: 527.9 °C at 760 mmHg; (22)Vapour Pressure: 5.65E-12 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](CC(=O)O)Cc2ccc1c(cccc1)c2
(2)InChI: InChI=1/C19H23NO4/c1-19(2,3)24-18(23)20-16(12-17(21)22)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,16H,11-12H2,1-3H3,(H,20,23)(H,21,22)/t16-/m0/s1
(3)InChIKey: RKULNBHGHIPRGC-INIZCTEOBT

Product Name

Boc-(S)-3-amino-4-(2-naphthyl)-butyric acid

Boc-(S)-3-amino-4-(2-naphthyl)-butyric acid Specification

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