9-Acridinamine, N-(5-(4-((2-chloroethyl)ethylamino)phenoxy)pentyl)-

HCID 154684

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Basic information

CAS: 155798-37-1
Standard SMILES: CCN(CCCl)c1ccc(OCCCCCNc2c3ccccc3nc3ccccc23)cc1
InChIKey: FUJIRZJLIZTZJA-UHFFFAOYSA-N
Molecular formula: C28H32ClN3O
Average molar mass: 462 g/mol
Monoisotopic mass: 461.2233903

Names & identifiers

Preferred name: 9-Acridinamine, N-(5-(4-((2-chloroethyl)ethylamino)phenoxy)pentyl)-
IUPAC: N-[5-[4-[2-chloroethyl(ethyl)amino]phenoxy]pentyl]acridin-9-amine

Names & synonyms

9-Acridinamine, N-(5-(4-((2-chloroethyl)ethylamino)phenoxy)pentyl)-155798-37-1SPC47D88SP9-(5-(4-(N-Ethyl-N-(2-chloroethyl)amino)phenoxy)pentylamino)acridineCCRIS 6806N-(5-(4-(2-Chloroethyl(ethyl)amino)phenoxy)pentyl)acridin-9-amine9-[5-(4-(N-ETHYL-N-(2-CHLOROETHYL)AMINO)PHENOXY)PENTYLAMINO]ACRIDINEN-(5-(4-((2-Chloroethyl)ethylamino)phenoxy)pentyl)-9-acridinamineUNII-SPC47D88SPDTXSID90165970N-(5-{4-[(2-CHLOROETHYL)(ETHYL)AMINO]PHENOXY}PENTYL)ACRIDIN-9-AMINE

Database identifiers

CAS: 155798-37-1
PubChem CID: 154684
DTXSID: DTXSID90165970
UNII: SPC47D88SP
Nikkaji: J1.384.858K

Properties

Computed structural properties

XLogP: 7.3
Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 12
Heavy atoms: 33
Formal charge: 0
Complexity: 519

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