Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)-
Basic information
- CAS
94028-94-1- Standard SMILES
O=C1c2ccccc2C(=O)N1CN1CCCCCC1- InChIKey
GXLXIJHZQVPFHO-UHFFFAOYSA-N- Molecular formula
- C15H18N2O2
- Average molar mass
- 258.32 g/mol
- Monoisotopic mass
- 258.13682782
Names & identifiers
- Preferred name
- Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)-
- IUPAC
- 2-(azepan-1-ylmethyl)isoindole-1,3-dione
Names & synonyms
N-((Hexahydro-1H-azepin-1-yl)methyl)phthalimide94028-94-1BRN 1536073Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)-5-21-10-00374 (Beilstein Handbook Reference)RefChem:3715731h-isoindole-1,3(2h)-dione, 2-[(hexahydro-1h-azepin-1-yl)methyl]-95327-31-42-(azepan-1-ylmethyl)isoindole-1,3-dioneOprea1_3983502-(azepan-1-ylmethyl)-1H-isoindole-1,3(2H)-dioneDTXSID30916625
Show more names
STK256684AKOS001651825ST50182050AF-399/345670162-(1-azepanylmethyl)-1H-isoindole-1,3(2H)-dione2-(azaperhydroepinylmethyl)benzo[c]azoline-1,3-dione2-[(Azepan-1-yl)methyl]-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
94028-94-1- PubChem CID
- 715070
- DTXSID
DTXSID30916625- Nikkaji
- J58.105D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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