Lysine clonixinate supplier | CasNO.55837-30-4

Name
Lysine clonixinate
EINECS
CAS No. 55837-30-4
Density 1.386g/cm3
Solubility
Melting Point 208-214 °C (dec.)
Formula C₁₃H₁₁ClN₂O₂^.C₆H₁₄N₂O₂
Boiling Point 410.2 °C at 760mmHg
Molecular Weight 408.885
Flash Point 201.9 °C
Transport Information
Appearance White to off-white solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L 104;Clonixin lysine salt;3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)amino)-, compd. with L-lysine (1:1);2-[(3-chloro-2-methyl-phenyl)amino]pyridine-3-carboxylic acid; (2S)-2,6-diaminohexanoic acid;2-(2-Methyl-3-chloroanilino)lysine nicotinate;L-Lysine, mono(2-((3-chloro-2-methylphenyl)amino)-3-pyridinecarboxylate);L-Lysine,compounds,mono[2-[(3-chloro-2- methylphenyl)amino]-3-pyridinecarboxylate];L-104;Clonixin lysinate;
PSA 151.56000
LogP 4.48610

Lysine clonixinate Specification

The Lysine clonixinate is an organic compound with the formula C₁₃H₁₁ClN₂O₂^.C₆H₁₄N₂O₂. The IUPAC name of this chemical is 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid; (2S)-2,6-diaminohexanoic acid. With the CAS registry number 55837-30-4, it is also named as 2-(2'-Methyl-3'-chloroanilino)lysine nicotinate. The product's category is Organics.

The other characteristics of Lysine clonixinate can be summarized as: (1)ACD/LogP: 5.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.75; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 20.03; (6)ACD/BCF (pH 7.4): 3.32; (7)ACD/KOC (pH 5.5): 64.51; (8)ACD/KOC (pH 7.4): 10.7; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Flash Point: 201.9 °C; (13)Enthalpy of Vaporization: 69.85 kJ/mol; (14)Boiling Point: 410.2 °C at 760 mmHg; (15)Vapour Pressure: 1.83E-07 mmHg at 25°C; (16)Rotatable Bond Count: 8; (17)Tautomer Count: 4; (18)Exact Mass: 408.156433; (19)MonoIsotopic Mass: 408.156433; (20)Topological Polar Surface Area: 152; (21)Heavy Atom Count: 28; (22)Complexity: 407; (23)Defined Atom StereoCenter Count: 1.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)[C@@H](N)CCCCN.Clc2c(c(Nc1ncccc1C(=O)O)ccc2)C
2. InChI:InChI=1/C13H11ClN2O2.C6H14N2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12;7-4-2-1-3-5(8)6(9)10/h2-7H,1H3,(H,15,16)(H,17,18);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1

Product Name

Lysine clonixinate

Lysine clonixinate Specification

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