1(4H)-Naphthalenone, 2-amino-4-imino-, monohydrochloride
Basic information
- CAS
5438-85-7- Standard SMILES
Cl.N=C1C=C(N)C(=O)c2ccccc21- InChIKey
GBXFEIWAUUUQFE-UHFFFAOYSA-N- Molecular formula
- C10H9ClN2O
- Average molar mass
- 208.64 g/mol
- Monoisotopic mass
- 208.0403406
Names & identifiers
- Preferred name
- 1(4H)-Naphthalenone, 2-amino-4-imino-, monohydrochloride
- IUPAC
- 2-amino-4-iminonaphthalen-1-one;hydrochloride
Names & synonyms
RefChem:10514561(4H)-Naphthalenone, 2-amino-4-imino-, monohydrochlorideANQITCMDC-1419921(4H)-Naphthalenone, monohydrochloride2-amino-4-imino-naphthalen-1-oneNSC15013CHEMBL529792NSC-15013NSC239654NSC-2396542-Amino-1,4-naphthoquinone imine, monohydrochloride
Database identifiers
- CAS
5438-85-7- PubChem CID
- 458959
- ChEMBL
CHEMBL529792
Properties
Computed structural properties
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 293
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Compound notes
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