6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
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Basic information
- CAS
35933-93-8- Standard SMILES
Cc1ccc2c(c1)C1(OC(=O)c3ccccc31)c1ccc(NC3CCCCC3)cc1O2- InChIKey
OJMMRJXMDLNRFW-UHFFFAOYSA-N- Molecular formula
- C27H25NO3
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.18344366
Names & identifiers
- Preferred name
- 6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
- IUPAC
- 6'-(cyclohexylamino)-2'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- 6'-(cyclohexylamino)-2'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
- Molecular formula
- C27H25NO3
- Molecular weight
- 411.4923
Names & synonyms
EINECS 252-800-6Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(cyclohexylamino)-2'-methyl-DTXSID208856396'-(Cyclohexylamino)-2'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-oneSpiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(cyclohexylamino)-2'-methyl-6'-(Cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-oneRefChem:538350DTXCID501025004252-800-635933-93-8SCHEMBL6405828OJMMRJXMDLNRFW-UHFFFAOYSA-N
Show more names
NS000579606'-(Cyclohexylamino)-2'-methyl-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one
Database identifiers
- CAS
35933-93-8- PubChem CID
- 169735
- DTXSID
DTXSID20885639- EC Number
- 252-800-6
- Nikkaji
- J87.350K
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 675
Physicochemical properties
- EPA Substance Registry System
- -1 · Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(cyclohexylamino)-2'-methyl- (35933-93-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationChemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(cyclohexylamino)-2'-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(cyclohexylamino)-2'-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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