N-Boc-N'-(4-cyanobenzyl)-2-L-azetidinecarboxamide

Base Information

• Chemical Name: N-Boc-N'-(4-cyanobenzyl)-2-L-azetidinecarboxamide
• CAS No.: 908259-42-7
• Molecular Formula: C₁₇H₂₁N₃O₃
• Molecular Weight: 315.372
• DSSTox Substance ID: DTXSID001123607
• Nikkaji Number: J1.646.075C
• Mol file: 908259-42-7.mol

Synonyms:908259-42-7;N-Boc-N'-(4-cyanobenzyl)-2-L-azetidinecarboxamide;Tert-butyl (2S)-2-[(4-cyanophenyl)methylcarbamoyl]azetidine-1-carboxylate;(S)-tert-butyl 2-((4-cyanobenzyl)carbamoyl)azetidine-1-carboxylate;SCHEMBL13111226;DTXSID001123607;tert-Butyl (S)-2-((4-cyanobenzyl)carbamoyl)azetidine-1-carboxylate;N-Boc-N inverted exclamation mark -(4-cyanobenzyl)-2-L-azetidinecarboxamide;1,1-Dimethylethyl (2S)-2-[[[(4-cyanophenyl)methyl]amino]carbonyl]-1-azetidinecarboxylate

Chemical Property of N-Boc-N'-(4-cyanobenzyl)-2-L-azetidinecarboxamide

Chemical Property:

• PSA: 85.92000
• LogP: 2.96208
• Solubility.: Dichloromethane, DMSO, Ethyl Acetate,
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 315.15829154
• Heavy Atom Count: 23
• Complexity: 495

Purity/Quality:

97% ^*data from raw suppliers

N-Boc-N’-(4-cyanobenzyl)-2-L-azetidinecarboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC1C(=O)NCC2=CC=C(C=C2)C#N
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NCC2=CC=C(C=C2)C#N