Basic information
- CAS
69844-34-4- Standard SMILES
O=C1C(Cl)=C(NCCO)C(=O)c2ccccc21- InChIKey
MNAMDFQYYYJMKZ-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO3
- Average molar mass
- 251.66 g/mol
- Monoisotopic mass
- 251.0349209
Names & identifiers
- Preferred name
- 2-Chloro-3-((2-hydroxyethyl)amino)-1,4-naphthoquinone
- IUPAC
- 2-chloro-3-(2-hydroxyethylamino)naphthalene-1,4-dione
- English name
- 2-chloro-3-[(2-hydroxyethyl)amino]-1,4-naphthoquinone
- Molecular formula
- C12H10ClNO3
- Molecular weight
- 251.67
Names & synonyms
69844-34-42-Chloro-3-((2-hydroxyethyl)amino)-1,4-naphthoquinone2-CHLORO-3-[(2-HYDROXYETHYL)AMINO]-1,4-NAPHTHOQUINONE2-chloro-3-(2-hydroxyethylamino)naphthalene-1,4-dioneCVS5KHM2SLCHEMBL4554878NSC-1303622-Chloro-3-((2-hydroxyethyl)amino)naphthalene-1,4-dione2-chloro-3-[(2-hydroxyethyl)amino]naphthoquinone2-CHLORO-3-((2-HYDROXYETHYL)AMINO)NAPHTHOQUINONE2-CHLORO-3-[(2-HYDROXYETHYL)AMINO]NAPHTHALENE-1,4-DIONEEINECS 274-147-6
Show more names
2-Chloro-3-[(2-hydroxyethyl)amino]-1,4-naphthalenedione1,4-Naphthalenedione, 2-chloro-3-[(2-hydroxyethyl)amino]-
NSC130362UNII-CVS5KHM2SLSCHEMBL17249976DTXSID30220138MNAMDFQYYYJMKZ-UHFFFAOYSA-NBDBM50504364NSC 130362NS00036963
Database identifiers
- CAS
69844-34-4- PubChem CID
- 97529
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- FDA UNII
- 5 KHM2SL · CVS5KHM2SL
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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