tributylazanium perchlorate

C12H28ClNO4 — CID 11808256

IUPACtributylazanium perchlorate
SMILESCCCC[NH+](CCCC)CCCC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C12H27N.ClHO4/c1-4-7-10-13(11-8-5-2)12-9-6-3;2-1(3,4)5/h4-12H2,1-3H3;(H,2,3,4,5)
InChIKeyKAEDQVBDSAUNQT-UHFFFAOYSA-N
MW285.81 g/mol
LogP-2.48
Rot. Bonds9

About tributylazanium perchlorate

tributylazanium perchlorate (PubChem CID 11808256) has the molecular formula C12H28ClNO4 and a molecular weight of 285.81 g/mol. Its IUPAC name is tributylazanium perchlorate.

Molecular Properties

Compound Nametributylazanium perchlorate
PubChem CID11808256
Molecular FormulaC12H28ClNO4
Molecular Weight285.81 g/mol
Exact Mass285.17
IUPAC Nametributylazanium perchlorate
SMILESCCCC[NH+](CCCC)CCCC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C12H27N.ClHO4/c1-4-7-10-13(11-8-5-2)12-9-6-3;2-1(3,4)5/h4-12H2,1-3H3;(H,2,3,4,5)
InChIKeyKAEDQVBDSAUNQT-UHFFFAOYSA-N
XLogP-2.48
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 5-2.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tributylazanium perchlorate?
The IUPAC name of tributylazanium perchlorate (CID 11808256) is tributylazanium perchlorate.
What is the SMILES notation for tributylazanium perchlorate?
The canonical SMILES for tributylazanium perchlorate is CCCC[NH+](CCCC)CCCC.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of tributylazanium perchlorate?
The InChIKey is KAEDQVBDSAUNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.ClHO4/c1-4-7-10-13(11-8-5-2)12-9-6-3;2-1(3,4)5/h4-12H2,1-3H3;(H,2,3,4,5).
What are the key properties of tributylazanium perchlorate?
tributylazanium perchlorate has a molecular weight of 285.81 g/mol, XLogP of -2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributylazanium perchlorate is sourced from PubChem (CID 11808256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).