Basic information
- CAS
56410-89-0- Standard SMILES
CCCCCC(O)CCCN(C#N)CCCCCCC(=O)O- InChIKey
FBYPCXDMTLCTLE-UHFFFAOYSA-N- Molecular formula
- C17H32N2O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.24129288
Names & identifiers
- Preferred name
- 7-[Cyano(4-hydroxynonyl)amino]heptanoic acid
- IUPAC
- 7-[cyano(4-hydroxynonyl)amino]heptanoic acid
Names & synonyms
7-[CYANO(4-HYDROXYNONYL)AMINO]HEPTANOIC ACID56410-89-0CHEMBL3273636SCHEMBL11793908DTXSID90853461FBYPCXDMTLCTLE-UHFFFAOYSA-N7-[N-(4-hydroxynonyl)cyanamido]heptanoic acid
Database identifiers
- CAS
56410-89-0- PubChem CID
- 71444702
- DTXSID
DTXSID90853461- ChEMBL
CHEMBL3273636
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 325
Related reactions
2 records
Compound notes
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