N-Boc-hexahydro-1H-azepin-4-one

Base Information

• Chemical Name: N-Boc-hexahydro-1H-azepin-4-one
• CAS No.: 188975-88-4
• Molecular Formula: C11H19NO3
• Molecular Weight: 213.277
• Hs Code.: 29242990
• European Community (EC) Number: 629-011-4
• DSSTox Substance ID: DTXSID00363768
• Nikkaji Number: J2.904.351E
• Wikidata: Q72449476
• Mol file: 188975-88-4.mol

Synonyms:188975-88-4;N-Boc-hexahydro-1H-azepin-4-one;Tert-butyl 4-oxoazepane-1-carboxylate;1-Boc-hexahydro-1H-azepin-4-one;1-BOC-4-AZEPANONE;MFCD03788435;1-Boc-homopiperazin-4-one;N-BOC AZEPAN-4-ONE;N-Boc-hexahydro-1H-azepine-4-one;4-Oxo-azepane-1-carboxylic acid tert-butyl ester;tert-Butyl hexahydro-4-oxo-1H-azepine-1-carboxylate;4-Oxoazepane-1-carboxylic acid tert-butyl ester;1-boc-homopipoerazin-4-one;1H-azepine-1-carboxylic acid;SCHEMBL157123;DTXSID00363768;BCP34572;CS-D0285;t-Butyl 4-oxoazepane-1-carboxylate;Tert-butyl4-oxoazepane-1-carboxylate;tert-butyl 4-oxo-1-azepancarboxylate;tert-Butyl 4-oxoazepane-1-carboxylat;tert-butyl 4-oxoazepane-l-carboxylate;1-t-butoxycarbonyl-4-oxohomopiperidine;AKOS015841230;tert-butyl 4-oxo-azepan-1-carboxylate;AC-2977;PB23364;PS-5153;1-(t-butoxycarbonyl)-4-perhydroazepinone;SY003473;N-tert-butoxycarbonyl-hexahydroazepin-4-one;A4176;AM20090105;FT-0648460;EN300-95791;N-(tert-butoxycarbonyl)-hexahydro-1H-azepin-4-one;t-Butyl hexahydro-4-oxo-(4H)-azepine-1-carboxylate;W-206389;1-(tert-butyloxycarbonyl)-hexahydro-4 H-azepin-4-one;N-Boc-hexahydro-1H-azepin-4-one, >=95.0% (HPLC);F2158-1558;4-Oxohexahydro-1H-azepine-1-carboxylic acid tert-butyl ester;1,1-DIMETHYLETHYL 4-OXOHEXAHYDRO-1H-AZEPINE-1-CARBOXYLATE

Chemical Property of N-Boc-hexahydro-1H-azepin-4-one

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: n20/D 1.467
• Boiling Point: 308.214 °C at 760 mmHg
• PKA: -1.50±0.20(Predicted)
• Flash Point: 140.203 °C
• PSA: 46.61000
• Density: 1.072 g/cm³
• LogP: 1.91440
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Solubility.: Soluble in Chloroform, Dichloromethane, Ethanol and Ethyl Ether.
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 213.13649347
• Heavy Atom Count: 15
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

N-BocAzepan-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC(=O)CC1
• Uses: It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs. It is a fine chemical intermediate.