(9-Acridyl)-spermine

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Basic information

CAS: 101009-07-8
Standard SMILES: NCCCNCCCCNCCCNc1c2ccccc2nc2ccccc12
InChIKey: LXZYOBAAZALAST-UHFFFAOYSA-N
Molecular formula: C23H33N5
Average molar mass: 379.5 g/mol
Monoisotopic mass: 379.27359607

Names & identifiers

Preferred name: (9-Acridyl)-spermine
IUPAC: N'-[3-(acridin-9-ylamino)propyl]-N-(3-aminopropyl)butane-1,4-diamine

Names & synonyms

101009-07-8(9-Acridyl)-spermineN1-(3-(Acridin-9-ylamino)propyl)-N4-(3-aminopropyl)butane-1,4-diamineDTXSID70905891N-(3-(9-Acridinylamino)propyl)-N'-(3-aminopropyl)-1,4-butanediamine1,4-BUTANEDIAMINE, N-(3-(9-ACRIDINYLAMINO)PROPYL)-N'-(3-AMINOPROPYL)-N~1~-{3-[(Acridin-9(10H)-ylidene)amino]propyl}-N~4~-(3-aminopropyl)butane-1,4-diamine

Database identifiers

CAS: 101009-07-8
PubChem CID: 58146
DTXSID: DTXSID70905891
Nikkaji: J64.615F

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 75 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 5
Rotatable bonds: 13
Heavy atoms: 28
Formal charge: 0
Complexity: 382

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Compound notes

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