5-Acenaphthylenamine
Basic information
- CAS
4523-49-3- Standard SMILES
Nc1ccc2c3c(cccc13)C=C2- InChIKey
NSFVUZMFCWXYKN-UHFFFAOYSA-N- Molecular formula
- C12H9N
- Average molar mass
- 167.21 g/mol
- Monoisotopic mass
- 167.07349929
Names & identifiers
- Preferred name
- 5-Acenaphthylenamine
- IUPAC
- acenaphthylen-5-amine
Names & synonyms
5-ACENAPHTHYLENAMINEacenaphthylen-5-amine4523-49-3UNII-080ETH9OKD080ETH9OKDDTXSID30196440RefChem:101854DTXCID40118931SCHEMBL4978813Q27236335
Database identifiers
- CAS
4523-49-3- PubChem CID
- 20616
- DTXSID
DTXSID30196440- UNII
- 080ETH9OKD
- Nikkaji
- J1.554.118K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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