1,2-Dihydroacenaphthylen-3-amine
Basic information
- CAS
55939-13-4- Standard SMILES
Nc1ccc2cccc3c2c1CC3- InChIKey
OUYJCKISKGRXRJ-UHFFFAOYSA-N- Molecular formula
- C12H11N
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.08914936
Names & identifiers
- Preferred name
- 1,2-Dihydroacenaphthylen-3-amine
- IUPAC
- 1,2-dihydroacenaphthylen-3-amine
- English name
- 3-Aminoacenaphthene
- Molecular formula
- C12H11N
- Molecular weight
- 169.22
Names & synonyms
55939-13-41,2-dihydroacenaphthylen-3-amine3-AMINOACENAPHTHENE3-Acenaphthenamine1,2-Dihydro-3-acenaphthylenamine3-Acenaphthylenamine, 1,2-dihydro-1,2-Dihydro-3-acenaphthylenamine;SCHEMBL4226559DTXSID30204534FCA93913AKOS022505090
Database identifiers
- CAS
55939-13-4- PubChem CID
- 148762
- DTXSID
DTXSID30204534- Nikkaji
- J90.300K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- solubility
- soluble in DCM, Ethyl Acetate
- form
- Solid
- color
- Light Brown
Chemistry & industry
Applications
Uses3-Acenaphthenamine is an impurity of Acenaphthene (D448330), which is a polycyclic aromatic hydrocarbon as carcinogenic agent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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