p-(9-Acridinylamino)benzoic acid methyl ester hydrochloride
Basic information
- CAS
51207-87-5- Standard SMILES
COC(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1- InChIKey
MLKVTCNOWUQOQC-UHFFFAOYSA-N- Molecular formula
- C21H16N2O2
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.12117776
Names & identifiers
- Preferred name
- p-(9-Acridinylamino)benzoic acid methyl ester hydrochloride
- IUPAC
- methyl 4-(acridin-9-ylamino)benzoate
Names & synonyms
p-(9-Acridinylamino)benzoic acid methyl ester hydrochloride51207-87-5methyl 4-(acridin-9-ylamino)benzoatemethyl 4-(acridin-9(10H)-ylideneamino)benzoateBRN 0492565BENZOIC ACID, p-(9-ACRIDINYLAMINO)-, METHYL ESTERCHEMBL48749DTXSID50965478STK366620STK584935AKOS001658205AKOS005443053
Show more names
ST50191852methyl 4-(9(10H)-acridinylideneamino)benzoateAB00119436-01AF-399/14340030Methyl 4-[(acridin-9(10H)-ylidene)amino]benzoatemethyl 4-[(acridin-9-yl)amino]benzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
51207-87-5- PubChem CID
- 39930
- DTXSID
DTXSID50965478- ChEMBL
CHEMBL48749- Nikkaji
- J1.062.681A
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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