N-(5-(4-(Bis(2-chloroethyl)amino)phenyl)pentyl)-9-acridinamine

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Basic information

CAS: 130031-44-6
Standard SMILES: ClCCN(CCCl)c1ccc(CCCCCNc2c3ccccc3nc3ccccc23)cc1
InChIKey: IMFGGYMFQQRZID-UHFFFAOYSA-N
Molecular formula: C28H31Cl2N3
Average molar mass: 480.5 g/mol
Monoisotopic mass: 479.1895034

Names & identifiers

Preferred name: N-(5-(4-(Bis(2-chloroethyl)amino)phenyl)pentyl)-9-acridinamine
IUPAC: N-[5-[4-[bis(2-chloroethyl)amino]phenyl]pentyl]acridin-9-amine

Names & synonyms

N-(5-(4-(Bis(2-chloroethyl)amino)phenyl)pentyl)-9-acridinamine130031-44-6CHEMBL1194825DTXSID50156309N-(5-{4-[BIS(2-CHLOROETHYL)AMINO]PHENYL}PENTYL)ACRIDIN-9-AMINE

Database identifiers

CAS: 130031-44-6
PubChem CID: 148158
DTXSID: DTXSID50156309
ChEMBL: CHEMBL1194825
Nikkaji: J351.878G

Properties

Computed structural properties

XLogP: 8
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 12
Heavy atoms: 33
Formal charge: 0
Complexity: 511

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Compound notes

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