Basic information
- CAS
61862-95-1- Standard SMILES
c1ccc(-n2cc3c(c2)CCCC3)cc1- InChIKey
DKWWULOOUAZNGJ-UHFFFAOYSA-N- Molecular formula
- C14H15N
- Average molar mass
- 197.27 g/mol
- Monoisotopic mass
- 197.12044948
Names & identifiers
- Preferred name
- Isoindole, 4,5,6,7-tetrahydro-2-phenyl-
- IUPAC
- 2-phenyl-4,5,6,7-tetrahydroisoindole
Names & synonyms
2-Phenyl-4,5,6,7-tetrahydroisoindoleBRN 1452803ISOINDOLE, 4,5,6,7-TETRAHYDRO-2-PHENYL-61862-95-1DTXSID30210837RefChem:349607DTXCID601333282-phenyl-4,5,6,7-tetrahydro-2H-isoindoleSCHEMBL11032782
Database identifiers
- CAS
61862-95-1- PubChem CID
- 43809
- DTXSID
DTXSID30210837- Nikkaji
- J94.679F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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