B5L

N~1~,N~1~,N~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium

Created:2019-01-16
Last modified:  2021-03-01

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Chemical Details

Formal Charge5
Atom Count56
Chiral Atom Count0
Bond Count55
Aromatic Bond Count0
2D diagram of B5L

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Chemical Component Summary

NameN~1~,N~1~,N~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium
SynonymsN4-bis(aminopropyl)spermidine
Systematic Name (OpenEye OEToolkits)4-azaniumylbutyl-tris(3-azaniumylpropyl)azanium
FormulaC13 H38 N5
Molecular Weight264.474
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C([N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])CCC[NH3+]
SMILESCACTVS3.385[NH3+]CCCC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+]
SMILESOpenEye OEToolkits2.0.6C(CC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])C[NH3+]
Canonical SMILESCACTVS3.385 [NH3+]CCCC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+]
Canonical SMILESOpenEye OEToolkits2.0.6 C(CC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])C[NH3+]
InChIInChI1.03 InChI=1S/C13H34N5/c14-6-1-2-10-18(11-3-7-15,12-4-8-16)13-5-9-17/h1-17H2/q+1/p+4
InChIKeyInChI1.03 FMTAVYOBEGHWPT-UHFFFAOYSA-R

Related Resource References

Resource NameReference
PubChem 86289948
ChEBI CHEBI:82771