tert-Butyl 2,3,6,7-tetrahydro-1H-azepine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 2,3,6,7-tetrahydro-1H-azepine-1-carboxylate
• CAS No.: 317336-73-5
• Molecular Formula: C11H19NO2
• Molecular Weight: 197.27
• Hs Code.: 29339900
• European Community (EC) Number: 814-129-2
• DSSTox Substance ID: DTXSID50514203
• Nikkaji Number: J2.822.258K,J1.477.120D
• Mol file: 317336-73-5.mol

Synonyms:317336-73-5;tert-Butyl 2,3,6,7-tetrahydro-1H-azepine-1-carboxylate;(Z)-tert-butyl 2,3,6,7-tetrahydroazepine-1-carboxylate;tert-butyl 2,3,6,7-tetrahydroazepine-1-carboxylate;MFCD10688298;2,3,6,7-TETRAHYDROAZEPINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;SCHEMBL4773530;DTXSID50514203;XUNAYZIHVQJKGX-UHFFFAOYSA-N;CS1443;AKOS006303374;SB13664;AC-31804;(Z)-(1-Boc)-2,3,6,7-tetrahydroazepine;AM20080554;CS-0309043;FT-0755525;EN300-153429;A820970;J-502668;(Z)-Tert-Butyl2,3,6,7-tetrahydroazepine-1-carboxylate;tert-Butyl2,3,6,7-tetrahydro-1H-azepine-1-carboxylate;2,3,6,7-tetrahydro-azepine-1-carboxylic acid tert-butyl ester;1H-Azepine-1-carboxylic acid, 2,3,6,7-tetrahydro-, 1,1-dimethylethyl ester

Chemical Property of tert-Butyl 2,3,6,7-tetrahydro-1H-azepine-1-carboxylate

Chemical Property:

• Boiling Point: 262.2 °C at 760 mmHg
• PKA: -1.37±0.20(Predicted)
• Flash Point: 112.4 °C
• PSA: 29.54000
• Density: 1.007 g/cm³
• LogP: 2.51140
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 197.141578849
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

98%,99%, ^*data from raw suppliers

(Z)-tert-Butyl2,3,6,7-tetrahydroazepine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC=CCC1