Basic information
- CAS
63978-91-6- Standard SMILES
O=C1C=C(N(CCCl)CCCl)C(=O)c2ccccc21- InChIKey
PHLZLDBVNZSBRA-UHFFFAOYSA-N- Molecular formula
- C14H13Cl2NO2
- Average molar mass
- 298.2 g/mol
- Monoisotopic mass
- 297.032334
Names & identifiers
- Preferred name
- 1,4-Naphthoquinone, 2-(di-2'-chloroethylamino)-
- IUPAC
- 2-[bis(2-chloroethyl)amino]naphthalene-1,4-dione
- English name
- 2-Di(2-chloroethyl)amino-1,4-naphthoquinone
- Molecular formula
- C14H13Cl2NO2
- Molecular weight
- 298.16
Names & synonyms
63978-91-61,4-NAPHTHOQUINONE, 2-(DI-2'-CHLOROETHYLAMINO)-2-(Di-2'-chloroethylamino)-1,4-naphthoquinoneDTXSID10213821NSC 260640RefChem:220991DTXCID401363122-[bis(2-chloroethyl)amino]naphthalene-1,4-dioneNSC2606402-Di(2-chloroethyl)amino-1,4-naphthoquinone1, 2-[bis(2-chloroethyl)amino]-NSC-260640
Show more names
1,4-Naphthalenedione, 2-[bis(2-chloroethyl)amino]-
DB-303345
Database identifiers
- CAS
63978-91-6- PubChem CID
- 45868
- DTXSID
DTXSID10213821- Nikkaji
- J61.694J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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