NBU

N-BUTANE

Created:	1999-10-10
Last modified:	2024-09-27

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7 entries where NBU is found as a standalone ligand4 entries where NBU is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	13
Aromatic Bond Count	0

2D diagram of NBU

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Chemical Component Summary
Name	N-BUTANE
Systematic Name (OpenEye OEToolkits)	butane
Formula	C₄ H₁₀
Molecular Weight	58.122
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	CCCC
SMILES	CACTVS	3.341	CCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCC
Canonical SMILES	CACTVS	3.341	CCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCC
InChI	InChI	1.03	InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
InChIKey	InChI	1.03	IJDNQMDRQITEOD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7843
ChEMBL	CHEMBL134702
ChEBI	CHEBI:37808
CCDC/CSD	GEQGOZ, FOYSUK, QUWYEO, SAPPOR, JUGZES, JUGZIW, DUCKOB07, SEJMOL, QICCUA, WUTZAP, WOBDUM, NUVSUU, DUCKOB06, ESILOI, DUCKOB05, DUCKOB08, KARKAS, DUCKOB09, SUZNUY, ZAWCEI, WUWNOR
COD	1511810, 1511809, 1511808, 1511811, 1511812

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