Benzyl 4-amino-4-cyanopiperidine-1-carboxylate

Base Information

• Chemical Name: Benzyl 4-amino-4-cyanopiperidine-1-carboxylate
• CAS No.: 331281-15-3
• Molecular Formula: C14H17N3O2
• Molecular Weight: 259.30368
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60682164
• Wikidata: Q82606459
• Mol file: 331281-15-3.mol

Synonyms:BENZYL 4-AMINO-4-CYANOPIPERIDINE-1-CARBOXYLATE;331281-15-3;Benzyl4-amino-4-cyanopiperidine-1-carboxylate;SCHEMBL2082902;DTXSID60682164;GRHDPIWPOMOSEM-UHFFFAOYSA-N;MFCD14582465;AKOS015854676;SB43902;BS-25237;CS-0091576;D75168;A875415;4-amino-4-cyano-piperidine-1-carboxylic acid benzyl ester

Chemical Property of Benzyl 4-amino-4-cyanopiperidine-1-carboxylate

Chemical Property:

• PSA: 79.35000
• LogP: 2.27828
• Storage Temp.: Room temperature.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 259.132076794
• Heavy Atom Count: 19
• Complexity: 360

Purity/Quality:

97% ^*data from raw suppliers

Benzyl4-amino-4-cyanopiperidine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1(C#N)N)C(=O)OCC2=CC=CC=C2