N,N,N',N'-Tetramethyl-N,N'-bis(3-(trimethylammonio)propyl)-1,4-butanediaminium tetraiodide

CAS Number: 20224-28-6

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C[N+](C)(C)CCC[N+](C)(C)CCCC[N+](C)(C)CCC[N+](C)(C)C.[I-].[I-].[I-].[I-]

Molecule Information

Mutagenic: none Tumorigenic: none Irritant: none

Formula

I.I.I.I.C20H50N4

Molecular Weight

346.645

Drug-likeness

-3.2359

CAS

20224-28-6

InChI key

JKOURDGIERKBME-UHFFFAOYSA-J

SMILES

C[N+](C)(C)CCC[N+](C)(C)CCCC[N+](C)(C)CCC[N+](C)(C)C.[I-].[I-].[I-].[I-]

ChemrytIQ

CAS Information Snapshot

1 database item

Mutagenic

none

Tumorigenic

none

Handling Watch

Irritant: none | Reproductive effective: none

Molecule Information
Related CAS

Property	Value
CAS Number	20224-28-6
Molecule Name	N,N,N',N'-Tetramethyl-N,N'-bis(3-(trimethylammonio)propyl)-1,4-butanediaminium tetraiodide
Molecular Formula	I.I.I.I.C20H50N4
SMILES	C[N+](C)(C)CCC[N+](C)(C)CCCC[N+](C)(C)CCC[N+](C)(C)C.[I-].[I-].[I-].[I-]
InChI	InChI=1S/C20H50N4.4HI/c1-21(2,3)15-13-19-23(7,8)17-11-12-18-24(9,10)20-14-16-22(4,5)6;;;;/h11-20H2,1-10H3;4*1H/q+4;;;;/p-4
InChI Key	JKOURDGIERKBME-UHFFFAOYSA-J
CanonicalSyTyLFy	84568cebeedacb5d
TotalMolweight	854.245
Molecular Weight	346.645
MonoisotopicMass	346.403546
CLogP	-10.97
CLogS	1.904
H Acceptors	4
TotalSurfaceArea	297.22
Relative PSA	-0.10255
Drug-likeness	-3.2359
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	quart. ammonium
Shape Index	0.66667
Molecula Flexibility	0.64504
Molecular Complexity	0.49057
Fragments	5
Non HAtoms	24
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	13
Sp3Atoms	24
Symmetricatoms	15
Amines	4
AlkylAmines	4

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CAS Number	Mutagenic	Tumorigenic	Irritant	Molecule Formula	Mol Weight	Druglikeness	ChemrytIQ
100004-81-7	none	none	none	C13H11NO3	229.234	-1.3547	ChemrytIQ
10000-20-1	none	low	high	C12H32N2Si2	260.572	-64.51	ChemrytIQ
100-79-8	none	low	none	C6H12O3	132.158	-9.8672	ChemrytIQ
1000166-63-1	none	high	none	C20H23N8O2Br	487.361	-0.90793	ChemrytIQ
100031-76-3	none	none	none	C30H44NO8P	577.652	-46.719	ChemrytIQ
100005-68-3	none	none	none	C13H12O4	232.234	-4.9451	ChemrytIQ
100-27-6	low	none	none	C8H9NO3	167.163	-9.2735	ChemrytIQ
100008-90-0	none	none	none	C12H11N3O3	245.237	-1.9187	ChemrytIQ
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100031-92-3	none	none	high	C10H30OSi4	278.691	-53.619	ChemrytIQ
100-44-7	high	high	none	C7H7Cl	126.586	-2.365	ChemrytIQ
100010-02-4	none	none	none	C14H23NO	221.343	-6.1109	ChemrytIQ
100004-54-4	none	high	none	C4H8Te	183.708	-3.9699	ChemrytIQ
1000018-59-6	none	none	low	C10H15O2BrS	279.197	-14.078	ChemrytIQ
100002-29-7	none	none	none	C12H18N2O3	238.286	2.8956	ChemrytIQ
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100011-00-5	none	none	none	C15H24O2	236.354	-18.044	ChemrytIQ
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1000339-26-3	none	none	none	C14H7N2OBrCl2	370.033	-0.59356	ChemrytIQ
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1000-58-4	high	high	high	C4H8Cl4Si	226.006	-54.611	ChemrytIQ
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100010-00-2	none	none	none	C20H23NO5	357.405	-3.7157	ChemrytIQ
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100-47-0	high	none	high	C7H5N	103.124	-6.0498	ChemrytIQ
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100-75-4	high	high	high	C5H10N2O	114.147	-0.86877	ChemrytIQ
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1000-16-4	none	none	none	C13H30NO3P	279.359	-34.244	ChemrytIQ
100008-89-7	none	none	none	C11H10N4O3	246.225	-1.8465	ChemrytIQ
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100-48-1	none	none	none	C6H4N2	104.112	-6.0498	ChemrytIQ
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