Tert-butyl 3-(4-bromoanilino)azetidine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 3-(4-bromoanilino)azetidine-1-carboxylate
• CAS No.: 887579-54-6
• Molecular Formula: C14H19 Br N2 O2
• Molecular Weight: 327.22
• DSSTox Substance ID: DTXSID60698801
• Wikidata: Q82629277
• Mol file: 887579-54-6.mol

Synonyms:887579-54-6;tert-butyl 3-(4-bromoanilino)azetidine-1-carboxylate;1-Azetidinecarboxylicacid, 3-[(4-bromophenyl)amino]-, 1,1-dimethylethyl ester;TERT-BUTYL 3-[(4-BROMOPHENYL)AMINO]AZETIDINE-1-CARBOXYLATE;tert-Butyl 3-((4-bromophenyl)amino)azetidine-1-carboxylate;DTXSID60698801;AKOS012606795;EN300-6359519;Z1123699353

Chemical Property of Tert-butyl 3-(4-bromoanilino)azetidine-1-carboxylate

Chemical Property:

• PSA: 41.57000
• LogP: 3.49120
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 326.06299
• Heavy Atom Count: 19
• Complexity: 316

Purity/Quality:

98.5% ^*data from raw suppliers

3-(4-Bromo-phenylamino)-azetidine-1-carboxylicacidtert-butylester 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CC(C1)NC2=CC=C(C=C2)Br