Basic information
- CAS
141702-37-6- Standard SMILES
N#Cc1ccc(-c2ccc(OC(=O)CCCCCN)cc2)cc1- InChIKey
HOJOUGOYBLNALI-UHFFFAOYSA-N- Molecular formula
- C19H20N2O2
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.15247789
Names & identifiers
- Preferred name
- 4'-Cyano[1,1'-biphenyl]-4-yl 6-aminohexanoate
- IUPAC
- [4-(4-cyanophenyl)phenyl] 6-aminohexanoate
Names & synonyms
DTXSID7012527524'-Cyano[1,1'-biphenyl]-4-yl 6-aminohexanoate4a(2)-Cyano[1,1a(2)-biphenyl]-4-yl 6-aminohexanoate141702-37-6
Database identifiers
- CAS
141702-37-6- PubChem CID
- 85642967
- DTXSID
DTXSID701252752
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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