Methyl 1-(4-acetyl-2-aminophenyl)azetidine-3-carboxylate

Base Information

• Chemical Name: Methyl 1-(4-acetyl-2-aminophenyl)azetidine-3-carboxylate
• CAS No.: 887596-08-9
• Molecular Formula: C13H16 N2 O3
• Molecular Weight: 248.28
• DSSTox Substance ID: DTXSID10695062
• Wikidata: Q82624063
• Mol file: 887596-08-9.mol

Synonyms:887596-08-9;methyl 1-(4-acetyl-2-aminophenyl)azetidine-3-carboxylate;1-(4-acetyl-2-aminophenyl)azetidine-3-carboxylic acid methyl ester;DTXSID10695062;1-(4-ACETYL-2-AMINO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID METHYL ESTER

Chemical Property of Methyl 1-(4-acetyl-2-aminophenyl)azetidine-3-carboxylate

Chemical Property:

• PSA: 72.63000
• LogP: 1.72680
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 248.11609238
• Heavy Atom Count: 18
• Complexity: 339

Purity/Quality:

1-(4-Acetyl-2-amino-phenyl)-azetidine-3-carboxylicacidmethylester 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1)N2CC(C2)C(=O)OC)N