SPJ

(3R,3'R)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine

Created:	2007-12-19
Last modified:	2021-03-13

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1 entries where SPJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	2
Bond Count	45
Aromatic Bond Count	0

2D diagram of SPJ

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Chemical Component Summary
Name	(3R,3'R)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine
Synonyms	bis-(3R,3'R)-methyl spermine
Systematic Name (OpenEye OEToolkits)	(3R)-N-[4-[[(3R)-3-aminobutyl]amino]butyl]butane-1,3-diamine
Formula	C₁₂ H₃₀ N₄
Molecular Weight	230.393
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	NC(CCNCCCCNCCC(N)C)C
SMILES	CACTVS	3.341	C[CH](N)CCNCCCCNCC[CH](C)N
SMILES	OpenEye OEToolkits	1.5.0	CC(CCNCCCCNCCC(C)N)N
Canonical SMILES	CACTVS	3.341	C[C@@H](N)CCNCCCCNCC[C@@H](C)N
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H](CCNCCCCNCC[C@@H](C)N)N
InChI	InChI	1.03	InChI=1S/C12H30N4/c1-11(13)5-9-15-7-3-4-8-16-10-6-12(2)14/h11-12,15-16H,3-10,13-14H2,1-2H3/t11-,12-/m1/s1
InChIKey	InChI	1.03	LXKFTCVCBKNJNM-VXGBXAGGSA-N

Related Resource References

Resource Name	Reference
PubChem	15725828

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