alpha-Amino-2-carboxy-4-pyridinepropanoic acid supplier

Name
alpha-Amino-2-carboxy-4-pyridinepropanoic acid
EINECS
CAS No. 112055-80-8
Density 1.468 g/cm³
Solubility
Melting Point
Formula C₉H₁₀N₂O₄
Boiling Point 490.695 °C at 760 mmHg
Molecular Weight 210.19
Flash Point 250.564 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(4-(2-carboxy)-pyridyl)-L-alanine;
PSA 113.51000
LogP 0.43450

alpha-Amino-2-carboxy-4-pyridinepropanoic acid Specification

The IUPAC name of alpha-Amino-2-carboxy-4-pyridinepropanoic acid is 4-(2-amino-3-hydroxy-3-oxo-propyl)pyridine-2-carboxylic acid. With the CAS registry number 112055-80-8, it is also named as 3-(4-(2-carboxy)-pyridyl)-L-alanine. In addition, its molecular formula is C₉H₁₀N₂O₄ and molecular weight is 210.19.

The other characteristics of alpha-Amino-2-carboxy-4-pyridinepropanoic acid can be summarized as: (1) # of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)H bond acceptors: 6; (7)H bond donors: 4; (8)Freely Rotating Bonds: 5; (9)Polar Surface Area: 113.51 Å²; (10)Index of Refraction: 1.623; (11)Molar Refractivity: 50.515 cm³; (12)Molar Volume: 143.19 cm³; (13)Polarizability: 20.026×10^-24cm³; (14)Surface Tension: 79.927 dyne/cm; (15)Density: 1.468 g/cm³; (16)Flash Point: 250.564 °C; (17)Enthalpy of Vaporization: 79.756 kJ/mol; (18)Boiling Point: 490.695 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1cnc(cc1CC(C(=O)O)N)C(=O)O
(2)InChI:InChI=1/C9H10N2O4/c10-6(8(12)13)3-5-1-2-11-7(4-5)9(14)15/h1-2,4,6H,3,10H2,(H,12,13)(H,14,15)
(3)InChIKey:USFHLIQFEUPHHD-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C9H10N2O4/c10-6(8(12)13)3-5-1-2-11-7(4-5)9(14)15/h1-2,4,6H,3,10H2,(H,12,13)(H,14,15)
(5)Std. InChIKey:USFHLIQFEUPHHD-UHFFFAOYSA-N

Product Name

alpha-Amino-2-carboxy-4-pyridinepropanoic acid

alpha-Amino-2-carboxy-4-pyridinepropanoic acid Specification

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