Basic information
- CAS
73758-51-7- Standard SMILES
CCC(Oc1ccc(Nc2c3ccccc3[nH+]c3ccccc23)cc1)C(=O)O.[Cl-]- InChIKey
DULWHCIJMLNJQY-UHFFFAOYSA-N- Molecular formula
- C23H21ClN2O3
- Average molar mass
- 408.9 g/mol
- Monoisotopic mass
- 408.1240702
Names & identifiers
- Preferred name
- Butyric acid, 2-(p-(9-acridinylamino)phenoxy)-, dihydrate
- IUPAC
- 2-[4-(acridin-10-ium-9-ylamino)phenoxy]butanoic acid chloride
Names & synonyms
2-(p-(9-Acridinylamino)phenoxy)butyric acid, dihydrate73758-51-7BUTYRIC ACID, 2-(p-(9-ACRIDINYLAMINO)PHENOXY)-, DIHYDRATERefChem:331261
Database identifiers
- CAS
73758-51-7- PubChem CID
- 52409
Properties
Computed structural properties
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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