Basic information
- CAS
63979-13-5- Standard SMILES
O=C1C=CC(=Nc2ccc(N(CCCl)CCCl)cc2)c2ccccc21- InChIKey
AQCJZOGTECVUTC-UHFFFAOYSA-N- Molecular formula
- C20H18Cl2N2O
- Average molar mass
- 373.3 g/mol
- Monoisotopic mass
- 372.0796186
Names & identifiers
- Preferred name
- 4-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone
- IUPAC
- 4-[4-[bis(2-chloroethyl)amino]phenyl]iminonaphthalen-1-one
- English name
- 4-[p-Bis(2-chloroethyl)aminophenyl]amino-1(4H)-naphthalenone
- Molecular formula
- C20H18Cl2N2O
- Molecular weight
- 373.28
Names & synonyms
63979-13-54-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone1(4H)-NAPHTHALENONE, 4-(p-BIS(2-CHLOROETHYL)AMINOPHENYL)IMINO-4-[p-Bis(2-chloroethyl)aminophenyl]imino-1(4H)-naphthalenone1(4H)-Naphthalenone, 4-[p-bis(2-chloroethyl)aminophenyl]imino-NSC260644DTXSID1013843691(4H)-Naphthalenone, 4-[[4-[bis(2-chloroethyl)amino]phenyl]imino]-NSC 260644NSC-2606444-[p-Bis(2-chloroethyl)aminophenyl]amino-1(4H)-naphthalenone
Database identifiers
- CAS
63979-13-5- PubChem CID
- 45904
- DTXSID
DTXSID101384369
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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