Boc-L-3-(2-Furyl)alanine supplier

Name
BOC-L-2-FURYLALANINE DCHA SALT
EINECS
CAS No. 145206-40-2
Article Data4
CAS DataBase
Density 1.207 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇NO₅
Boiling Point 406.4 °C at 760 mmHg
Molecular Weight 436.58
Flash Point 199.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Furanpropanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(S)-;(2S)-2-[(tert-Butoxycarbonyl)amino]-3-(furan-2-yl)propionic acid;N-(tert-butoxycarbonyl)-3-furan-2-yl-L-alanine;(2S)-3-(2-Furyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid;2-furanpropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (alphaS)-;3-(2-Furyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanine;N-(tert-Butoxycarbonyl)-3-(2-furyl)-L-alanine;Boc-D-3-(2-Furyl)alanine;Boc-L-3-(2-Furyl)alanine;
PSA 88.77000
LogP 2.19090

Boc-L-3-(2-Furyl)alanine Specification

The Boc-L-3-(2-Furyl)alanine, with the CAS registry number 145206-40-2, has the systematic name of N-(tert-butoxycarbonyl)-3-furan-2-yl-L-alanine. It belongs to the following product categories: Amino Acids; Amino Acid Derivatives; a-amino. And the molecular formula of the chemical is C₁₂H₁₇NO₅.

The characteristics of Boc-L-3-(2-Furyl)alanine are as followings: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.07; (4)ACD/LogD (pH 7.4): -1.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.19; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 68.98 Å²; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 62.75 cm³; (15)Molar Volume: 211.4 cm³; (16)Polarizability: 24.87×10^-24cm³; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.207 g/cm³; (19)Flash Point: 199.6 °C; (20)Enthalpy of Vaporization: 69.4 kJ/mol; (21)Boiling Point: 406.4 °C at 760 mmHg; (22)Vapour Pressure: 2.47E-07 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](C(=O)O)Cc1occc1
(2)InChI: InChI=1/C12H17NO5/c1-12(2,3)18-11(16)13-9(10(14)15)7-8-5-4-6-17-8/h4-6,9H,7H2,1-3H3,(H,13,16)(H,14,15)/t9-/m0/s1
(3)InChIKey: YWLUWSMJXXBOLV-VIFPVBQEBY

Product Name

BOC-L-2-FURYLALANINE DCHA SALT

Boc-L-3-(2-Furyl)alanine Specification

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