cobalt;hexan-1-amine;sulfuric acid

C6H16CoNO4S- — CID 88745651

IUPACcobalt;hexan-1-amine;sulfuric acid
SMILESCCCCC[CH-]N.O=S(=O)(O)O.[Co]
InChIInChI=1S/C6H14N.Co.H2O4S/c1-2-3-4-5-6-7;;1-5(2,3)4/h6H,2-5,7H2,1H3;;(H2,1,2,3,4)/q-1;;
InChIKeyXPZOBJHPWJIHFG-UHFFFAOYSA-N
MW257.20 g/mol
LogP1.03
Rot. Bonds4

About cobalt;hexan-1-amine;sulfuric acid

cobalt;hexan-1-amine;sulfuric acid (PubChem CID 88745651) has the molecular formula C6H16CoNO4S- and a molecular weight of 257.20 g/mol. Its IUPAC name is cobalt;hexan-1-amine;sulfuric acid.

Molecular Properties

Compound Namecobalt;hexan-1-amine;sulfuric acid
PubChem CID88745651
Molecular FormulaC6H16CoNO4S-
Molecular Weight257.20 g/mol
Exact Mass257.01
IUPAC Namecobalt;hexan-1-amine;sulfuric acid
SMILESCCCCC[CH-]N.O=S(=O)(O)O.[Co]
InChIInChI=1S/C6H14N.Co.H2O4S/c1-2-3-4-5-6-7;;1-5(2,3)4/h6H,2-5,7H2,1H3;;(H2,1,2,3,4)/q-1;;
InChIKeyXPZOBJHPWJIHFG-UHFFFAOYSA-N
XLogP1.03
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt;hexan-1-amine;sulfuric acid?
The IUPAC name of cobalt;hexan-1-amine;sulfuric acid (CID 88745651) is cobalt;hexan-1-amine;sulfuric acid.
What is the SMILES notation for cobalt;hexan-1-amine;sulfuric acid?
The canonical SMILES for cobalt;hexan-1-amine;sulfuric acid is CCCCC[CH-]N.O=S(=O)(O)O.[Co].
What is the InChIKey of cobalt;hexan-1-amine;sulfuric acid?
The InChIKey is XPZOBJHPWJIHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N.Co.H2O4S/c1-2-3-4-5-6-7;;1-5(2,3)4/h6H,2-5,7H2,1H3;;(H2,1,2,3,4)/q-1;;.
What are the key properties of cobalt;hexan-1-amine;sulfuric acid?
cobalt;hexan-1-amine;sulfuric acid has a molecular weight of 257.20 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;hexan-1-amine;sulfuric acid is sourced from PubChem (CID 88745651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).