Benzyl alcohol, alpha-((diethylamino)methyl)-p-((3-methoxy-6-nitro-9-acridinyl)amino)-, dihydrochloride

HCID 208754

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Basic information

CAS: 32931-77-4
Standard SMILES: CCN(CC)CC(O)c1ccc(Nc2c3ccc(OC)cc3nc3cc([N+](=O)[O-])ccc23)cc1.Cl.Cl
InChIKey: ZLYQLTNZOWNLKG-UHFFFAOYSA-N
Molecular formula: C26H30Cl2N4O4
Average molar mass: 533.4 g/mol
Monoisotopic mass: 532.1644108

Names & identifiers

Preferred name: Benzyl alcohol, alpha-((diethylamino)methyl)-p-((3-methoxy-6-nitro-9-acridinyl)amino)-, dihydrochloride
IUPAC: 2-(diethylamino)-1-[4-[(3-methoxy-6-nitroacridin-9-yl)amino]phenyl]ethanol;dihydrochloride

Names & synonyms

32931-77-4Benzyl alcohol, alpha-((diethylamino)methyl)-p-((3-methoxy-6-nitro-9-acridinyl)amino)-, dihydrochlorideRefChem:328579DTXSID709545812-(Diethylamino)-1-{4-[(3-methoxy-6-nitroacridin-9(10H)-ylidene)amino]phenyl}ethan-1-ol--hydrogen chloride (1/2)

Database identifiers

CAS: 32931-77-4
PubChem CID: 208754
DTXSID: DTXSID70954581

Properties

Computed structural properties

Topological polar surface area: 103 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 36
Formal charge: 0
Complexity: 649

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