4-{[4-(Tetradecylamino)-1-naphthyl]diazenyl}benzoic acid
Basic information
- CAS
119922-94-0- Standard SMILES
CCCCCCCCCCCCCCNc1ccc(N=Nc2ccc(C(=O)O)cc2)c2ccccc12- InChIKey
DVDKZBLQEANXCU-UHFFFAOYSA-N- Molecular formula
- C31H41N3O2
- Average molar mass
- 487.7 g/mol
- Monoisotopic mass
- 487.31987756
Names & identifiers
- Preferred name
- 4-{[4-(Tetradecylamino)-1-naphthyl]diazenyl}benzoic acid
- IUPAC
- 4-[[4-(tetradecylamino)naphthalen-1-yl]diazenyl]benzoic acid
Names & synonyms
119922-94-04-{[4-(tetradecylamino)-1-naphthyl]diazenyl}benzoic acid(E)-4-((4-(tetradecylamino)naphthalen-1-yl)diazenyl)benzoic acidAA-516/332410364-[[4-(tetradecylamino)naphthalen-1-yl]diazenyl]benzoic acidDTXSID701038148Benzoic acid, 4-[2-[4-(tetradecylamino)-1-naphthalenyl]diazenyl]-
Database identifiers
- CAS
119922-94-0- PubChem CID
- 4097569
- DTXSID
DTXSID701038148
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 617
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Compound notes
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