1-Propanol, 3-(9-acridinylamino)-
Basic information
- CAS
55468-74-1- Standard SMILES
OCCCNc1c2ccccc2nc2ccccc12- InChIKey
NBKULGKZTNSHLL-UHFFFAOYSA-N- Molecular formula
- C16H16N2O
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.12626314
Names & identifiers
- Preferred name
- 1-Propanol, 3-(9-acridinylamino)-
- IUPAC
- 3-(acridin-9-ylamino)propan-1-ol
Names & synonyms
1-Propanol, 3-(9-acridinylamino)-55468-74-13-(9-Acridinylamino)-1-propanolDTXSID10204032RefChem:234685DTXCID101265233-(acridin-9-ylamino)propan-1-ol3-(Acridin-9-ylamino)-propan-1-olMLS001198540SCHEMBL3359485CHEMBL1376732HMS2884E03
Show more names
STK727008AKOS0006511153-[(Acridin-9-yl)amino]propan-1-olNCGC00245885-01SMR000558992AG-690/15438394
Database identifiers
- CAS
55468-74-1- PubChem CID
- 150655
- DTXSID
DTXSID10204032- ChEMBL
CHEMBL1376732
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 262
Experimental & physicochemical properties
Solubility>37.8 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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