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1-N,4-N-bis[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]phthalazine-1,4-diamine

HCID 9568397
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Basic information

CAS
27704-16-1
Standard SMILES
CN(C)c1ccc(/C=N/Nc2nnc(N/N=C/c3ccc(N(C)C)cc3Cl)c3ccccc23)c(Cl)c1
InChIKey
ZWVSQDOEVLSQBJ-CMNXJCJSSA-N
Molecular formula
C26H26Cl2N8
Average molar mass
521.4 g/mol
Monoisotopic mass
520.1657483

Names & identifiers

Preferred name
1-N,4-N-bis[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]phthalazine-1,4-diamine
IUPAC
1-N,4-N-bis[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]phthalazine-1,4-diamine

Names & synonyms

NSC10367927704-16-1NSC-1036792-Chloro-4-(dimethylamino)benzaldehyde phthalazine-1,4-diylhydrazoneN1,N4-bis[(E)-[2-chloro-4-(dimethylamino)phenyl]methyleneamino]phthalazine-1,4-diamine

Database identifiers

CAS
27704-16-1
PubChem CID
9568397

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
81 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
36
Formal charge
0
Complexity
675

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