Mls002608293
2-chloro-3-(2-phenylethylamino)naphthalene-1,4-dione
Also Known As: 2-chloro-3-(phenethylamino)naphthalene-1,4-dione|2-chloro-3-(phenethylamino)naphthoquinone|MS-1664|KS-0000280G|2-chloro-3-(2-phenylethylamino)naphthalene-1,4-dione|US20230364057, Compound 205|2-chloro-3-[(2-phenylethyl)amino]naphthalene-1,4-dione|2-chloro-3-(phenethylamino)-1,4-naphthoquinone|2-chloro-3-[(2-phenylethyl)amino]-1,4-naphthoquinone|SR-01000308352-1|SR-01000308352-3|BRD-K68711620-001-04-8|1,4-Naphthalenedione,2-chloro-3-[(2-phenylethyl)amino]-|2-chloro-3-[(2-phenylethyl)amino]-1,4-dihydronaphthalene-1,4-dione
| Molecular Formula | C18H14ClNO2 |
|---|---|
| Molecular Weight | 311.07132 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.07132 |
| Monoisotopic Mass | 311.07132 |
| Heavy Atoms | 22 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 69694-83-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC2=C(C(=O)C3=CC=CC=C3C2=O)Cl |
| InChIKey | PNCKVMGGVODNEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mls002608293 (CAS 69694-83-3), with molecular formula C18H14ClNO2 and molecular weight 311.07132 g/mol. IUPAC: 2-chloro-3-(2-phenylethylamino)naphthalene-1,4-dione.
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