6-Amino-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
Basic information
- CAS
14642-72-9- Standard SMILES
Cn1c(=O)cc2c3c(c(N)ccc31)C(=O)c1ccccc1-2- InChIKey
KWULQQPKJVEXMY-UHFFFAOYSA-N- Molecular formula
- C17H12N2O2
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.08987763
Names & identifiers
- Preferred name
- 6-Amino-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
- IUPAC
- 10-amino-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
Names & synonyms
6-Amino-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione14642-72-9NSC39895CHEMBL6030956-AMINO-3-METHYL-3H-NAPHTHO(1,2,3-DE)QUINOLINE-2,7-DIONEamino(methyl)[?]dioneCBMicro_020141Oprea1_366951Oprea1_683954SCHEMBL2481237DTXSID50284934CCG-8037
Show more names
BDBM50306770NSC-39895AKOS000592979EBC-615141ST110410BIM-0020035.P001ST50226724AB00084015-01
Database identifiers
- CAS
14642-72-9- PubChem CID
- 236871
- DTXSID
DTXSID50284934- ChEMBL
CHEMBL603095- EC Number
- 158-423-2
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 527
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…