3,4,5,6,7,8-Hexahydro-1H-cycloheptaimidazol-2-one

Base Information

• Chemical Name: 3,4,5,6,7,8-Hexahydro-1H-cycloheptaimidazol-2-one
• CAS No.: 121575-97-1
• Molecular Formula: C8H12 N2 O
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID80566715
• Nikkaji Number: J1.447.338F
• Wikidata: Q82452461
• Mol file: 121575-97-1.mol

Synonyms:121575-97-1;3,4,5,6,7,8-Hexahydro-1H-cycloheptaimidazol-2-one;3,4,5,6,7,8-hexahydro-1H-cyclohepta[d]imidazol-2-one;LPDVMKGSVXYVQR-UHFFFAOYSA-N;SCHEMBL6674473;SCHEMBL9443465;DTXSID80566715;AKOS006290541;1,4,5,6,7,8-hexahydro-2-hydroxy-cycloheptimidazole;3,4,5,6,7,8-Hexahydrocyclohepta[d]imidazol-2(1H)-one;3,4,5,6,7,8-Hexahydro-1H-cycloheptaimidazol-2-one, AldrichCPR

Chemical Property of 3,4,5,6,7,8-Hexahydro-1H-cycloheptaimidazol-2-one

Chemical Property:

• PSA: 48.65000
• LogP: 0.97190
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 152.094963011
• Heavy Atom Count: 11
• Complexity: 200

Purity/Quality:

97% ^*data from raw suppliers

3,4,5,6,7,8-hexahydro-2(1H)-Cycloheptimidazolone 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(CC1)NC(=O)N2

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