4-(2-Quinolin-4-ylethenyl)benzene-1,3-diamine
Basic information
- CAS
53-98-5- Standard SMILES
Nc1ccc(C=Cc2ccnc3ccccc23)c(N)c1- InChIKey
CDOBUXAOEVPRNM-UHFFFAOYSA-N- Molecular formula
- C17H15N3
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.12659749
Names & identifiers
- Preferred name
- 4-(2-Quinolin-4-ylethenyl)benzene-1,3-diamine
- IUPAC
- 4-(2-quinolin-4-ylethenyl)benzene-1,3-diamine
Names & synonyms
4-(2-quinolin-4-ylethenyl)benzene-1,3-diamineDTXSID501018926DS-0144831,3-Benzenediamine, 4-[2-(4-quinolinyl)ethenyl]-
Database identifiers
- CAS
53-98-5- PubChem CID
- 254641
- DTXSID
DTXSID501018926
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
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Compound notes
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