tert-Butyl 5-amino-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 5-amino-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate
• CAS No.: 811841-95-9
• Molecular Formula: C15H22 N2 O2
• Molecular Weight: 262.35
• Hs Code.: 2933990090
• European Community (EC) Number: 672-213-2
• DSSTox Substance ID: DTXSID50373418
• Mol file: 811841-95-9.mol

Synonyms:811841-95-9;tert-Butyl 5-amino-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate;5-Amino-2,3,4,5-tetrahydro-benzo[b]azepine-1-carboxylic acid tert-butyl ester;tert-butyl 5-amino-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylate;5-AMINO-1-BOC-2,3,4,5-TETRAHYDRO-BENZO[B]AZEPINE;tert-Butyl 5-amino-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxylate;DTXSID50373418;MFCD03426405;AKOS015963229;AS-37498;CS-0133113;EN300-1223396;F2147-4064;5-amino-2,3,4,5-tetrahydro-benzo(b) acepine-1-carboxylic acid;tert-Butyl5-amino-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate;5-Amino-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylic acid tert-butyl ester;tert-butyl 5-amino-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate

Chemical Property of tert-Butyl 5-amino-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate

Chemical Property:

• Vapor Pressure: 2.66E-05mmHg at 25°C
• Refractive Index: 1.537
• Boiling Point: 357.8°C at 760 mmHg
• PKA: 9.52±0.20(Predicted)
• Flash Point: 170.2°C
• PSA: 55.56000
• Density: 1.093g/cm³
• LogP: 3.98700
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 262.168127949
• Heavy Atom Count: 19
• Complexity: 325

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl 5-amino-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate 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)N1CCCC(C2=CC=CC=C21)N