Alanine, N-(2,6-dimethylphenyl)-N-methoxy-, methyl ester

Base Information

• Chemical Name: Alanine, N-(2,6-dimethylphenyl)-N-methoxy-, methyl ester
• CAS No.: 123298-28-2
• Molecular Formula: C13H19 N O3
• Molecular Weight: 237.33
• DSSTox Substance ID: DTXSID30153932
• Mol file: 123298-28-2.mol

Synonyms:Agromet;Alanine, N-(2,6-dimethylphenyl)-N-methoxy-, methyl ester;123298-28-2;N-(2,6-Dimethylphenyl)-N-methoxyalanine methyl ester;methyl (2S)-2-(N-methoxy-2,6-dimethylanilino)propanoate;DL-Alanine, N-(2,6-dimethylphenyl)-N-methoxy-, methyl ester;DTXSID30153932;LS-16083

Chemical Property of Alanine, N-(2,6-dimethylphenyl)-N-methoxy-, methyl ester

Chemical Property:

• Vapor Pressure: 0.000991mmHg at 25°C
• Boiling Point: 302.4°Cat760mmHg
• PKA: 2.11±0.50(Predicted)
• Flash Point: 136.7°C
• PSA: 38.77000
• Density: 1.079g/cm³
• LogP: 2.23270
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 237.13649347
• Heavy Atom Count: 17
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

N-(2,6-DIMETHYLPHENYL)-N-METHOXYALANINE METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Moderately toxic by ingestion and inhalation.
• Hazard Codes: Moderately toxic by ingestion and inhalation.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)OC
• Isomeric SMILES: CC1=C(C(=CC=C1)C)N([C@@H](C)C(=O)OC)OC