4-Pyridinealanine supplier | CasNO.1956-21-4

Name
3-(4-Pyridyl)-DL-alanine
EINECS
CAS No. 1956-21-4
Article Data7
CAS DataBase
Density 1.271 g/cm³
Solubility
Melting Point 234-235 °C
Formula C₈H₁₀N₂O₂
Boiling Point 346.4 °C at 760 mmHg
Molecular Weight 166.18
Flash Point 163.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Pyridinealanine(6CI);4-Pyridinepropionic acid, a-amino- (8CI);4-Pyridylalanine;DL-a-Amino-b-(4-pyridine)propanoic acid;b-(4-Pyridyl)-DL-Alanine;
PSA 76.21000
LogP 0.73630

4-Pyridinealanine Specification

The 4-Pyridinealanine with the cas number 1956-21-4 is also called 4-Pyridinepropanoicacid, a-amino-. The systematic name is 3-pyridin-4-ylalanine. Its molecular formula is C₈H₁₀N₂O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: -0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.17; (4)ACD/LogD (pH 7.4): -2.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 42.43 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 43.58 cm³; (15)Molar Volume: 130.6 cm³; (16)Polarizability: 17.27×10^-24cm³; (17)Surface Tension: 61.5 dyne/cm; (18)Enthalpy of Vaporization: 62.33 kJ/mol; (19)Vapour Pressure: 2.18×10^-5 mmHg at 25°C.

Uses: This chemical can prepare rac-2-Decarboxybetalaminsaeure-imin. This reaction needs reagent NH₃, solvent H₂O and methanol at 10 °C, pH 9.8. The reaction time is 70 min. The yield is 51%. This reaction also need irradiation.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)Cc1ccncc1
(2)InChI: InChI=1/C8H10N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)
(3)InChIKey: FQFVANSXYKWQOT-UHFFFAOYAJ

Product Name

3-(4-Pyridyl)-DL-alanine

4-Pyridinealanine Specification

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