Desmethylnafoxidine aziridine
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Basic information
- CAS
111660-18-5- Standard SMILES
Oc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CC2)cc1- InChIKey
ADRHIFFFTRPALJ-UHFFFAOYSA-N- Molecular formula
- C26H25NO2
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.18852904
Overview
structure given in first source
Names & identifiers
- Preferred name
- Desmethylnafoxidine aziridine
- IUPAC
- 5-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-6-phenyl-7,8-dihydronaphthalen-2-ol
- English name
- desmethylnafoxidine aziridine
- Molecular formula
- C26H25NO2
- Molecular weight
- 383.48
Names & synonyms
Desmethylnafoxidine aziridineNaf-Az111660-18-5DTXSID00149701RefChem:132246DTXCID00721922-Naphthalenol, 5-(4-(2-(1-aziridinyl)ethoxy)phenyl)-7,8-dihydro-6-phenyl-5-{4-[2-(Aziridin-1-yl)ethoxy]phenyl}-6-phenyl-7,8-dihydronaphthalen-2-ol2-Naphthalenol, 5-[4-[2-(1-aziridinyl)ethoxy]phenyl]-7,8-dihydro-6-phenyl-
Database identifiers
- CAS
111660-18-5- PubChem CID
- 130686
- DTXSID
DTXSID00149701
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 569
Related reactions
0 records
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Compound notes
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