Basic information
- CAS
686721-59-5- Standard SMILES
CCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccc(C#Cc2ccccc2)cc1- InChIKey
NVMWERZGKIUFHI-UHFFFAOYSA-N- Molecular formula
- C38H59N
- Average molar mass
- 529.9 g/mol
- Monoisotopic mass
- 529.46475089
Names & identifiers
- Preferred name
- benzenamine, N,N-didodecyl-4-(phenylethynyl)-
- IUPAC
- N,N-didodecyl-4-(2-phenylethynyl)aniline
Names & synonyms
benzenamine, N,N-didodecyl-4-(phenylethynyl)-N,N-didodecyl-4-(phenylethynyl)aniline686721-59-5DTXSID50348702InChI=1/C38H59N/c1-3-5-7-9-11-13-15-17-19-24-34-39(35-25-20-18-16-14-12-10-8-6-4-2)38-32-30-37(31-33-38)29-28-36-26-22-21-23-27-36/h21-23,26-27,30-33H,3-20,24-25,34-35H2,1-2H
Database identifiers
- CAS
686721-59-5- PubChem CID
- 640171
- DTXSID
DTXSID50348702- Nikkaji
- J2.113.588G
Properties
Computed structural properties
- XLogP
- 15.2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 25
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 558
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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