Basic information
- CAS
191417-53-5- Standard SMILES
OCCCCCNCc1c2ccccc2cc2ccccc12- InChIKey
MHHSSODUJUUNIL-UHFFFAOYSA-N- Molecular formula
- C20H23NO
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.17796436
Names & identifiers
- Preferred name
- 9-((5-Hydroxypentyl)aminomethyl)anthracene
- IUPAC
- 5-(anthracen-9-ylmethylamino)pentan-1-ol
Names & synonyms
9-((5-hydroxypentyl)aminomethyl)anthracene191417-53-55-{[(anthracen-9-yl)methyl]amino}pentan-1-olSCHEMBL3293925DTXSID90446978MHHSSODUJUUNIL-UHFFFAOYSA-N5-[(anthracen-9-ylmethyl)-amino]-pentan-1-ol
Database identifiers
- CAS
191417-53-5- PubChem CID
- 10880907
- DTXSID
DTXSID90446978- Nikkaji
- J1.828.136H
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 297
Related reactions
10 records
Compound notes
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