2,3,4,5-Tetrahydro-benzo[c]azepin-1-one

Base Information

• Chemical Name: 2,3,4,5-Tetrahydro-benzo[c]azepin-1-one
• CAS No.: 6729-50-6
• Molecular Formula: C10H11NO
• Molecular Weight: 161.2
• Hs Code.: 2933990090
• European Community (EC) Number: 676-259-4
• ChEMBL ID: CHEMBL4550861
• DSSTox Substance ID: DTXSID40459730
• Nikkaji Number: J2.824.707I
• Wikidata: Q72505325
• Mol file: 6729-50-6.mol

Synonyms:6729-50-6;2,3,4,5-Tetrahydro-benzo[c]azepin-1-one;2,3,4,5-Tetrahydro-1H-benzo[c]azepin-1-one;2,3,4,5-tetrahydro-2-benzazepin-1-one;2,3,4,5-tetrahydrobenzo[c]azepin-1-one;2,3,4,5-TETRAHYDRO-1H-2-BENZAZEPIN-1-ONE;MFCD04114867;F9995-2583;SCHEMBL1894080;CHEMBL4550861;DTXSID40459730;WWQPGNZHJFFKRW-UHFFFAOYSA-N;BCP07082;AKOS006344964;AB19134;AC-6563;DS-12826;SY046814;4,5-dihydro-2-benzazepine-1(2H,3H)-one;A9032;CS-0071404;FT-0651041;EN300-100747;1-oxo-2,3,4,5-tetrahydro-1h-benzo[c]azepine;J-506859;N-[4-(AMINOMETHYL)PHENYL]ACETAMIDEHYDROCHLORIDE;2,3,4,5-tetrahydro-benzo[c]azepin-1-one, AldrichCPR;Z1201622867

Chemical Property of 2,3,4,5-Tetrahydro-benzo[c]azepin-1-one

Chemical Property:

• Vapor Pressure: 2.27E-06mmHg at 25°C
• Melting Point: 99-100 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• Refractive Index: 1.547
• Boiling Point: 392.5°C at 760 mmHg
• PKA: 14.78±0.20(Predicted)
• Flash Point: 230.9°C
• PSA: 29.10000
• Density: 1.100
• LogP: 1.69140
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 179

Purity/Quality:

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

2,3,4,5-Tetrahydro-benzo[c]azepin-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2C(=O)NC1