Basic information
- CAS
305352-46-9- Standard SMILES
Clc1cccc(C2Nc3cccc4cccc(c34)N2)c1- InChIKey
XCXOXFRTKQREIB-UHFFFAOYSA-N- Molecular formula
- C17H13ClN2
- Average molar mass
- 280.7 g/mol
- Monoisotopic mass
- 280.0767261
Names & identifiers
- Preferred name
- 2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine
- IUPAC
- 2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine
Names & synonyms
2-(3-chlorophenyl)-2,3-dihydro-1H-perimidine305352-46-9MLS0012126732-(3-Chloro-phenyl)-2,3-dihydro-1H-perimidineSMR000515757ChemDivAM_000856CBMicro_027229ChemDiv1_019726Oprea1_296460Oprea1_470031cid_668461CHEMBL1507764
Show more names
SCHEMBL13035693BDBM61872HMS643A14DTXSID801324390HMS2816D14STK047809AKOS000555108ST041315
Database identifiers
- CAS
305352-46-9- PubChem CID
- 668461
- DTXSID
DTXSID801324390- ChEMBL
CHEMBL1507764
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
Experimental & physicochemical properties
Solubility5.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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