diethylazanium perchlorate

C4H12ClNO4 — CID 71435231

IUPACdiethylazanium perchlorate
SMILESCC[NH2+]CC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C4H11N.ClHO4/c1-3-5-4-2;2-1(3,4)5/h5H,3-4H2,1-2H3;(H,2,3,4,5)
InChIKeySULORKHFCYQSPZ-UHFFFAOYSA-N
MW173.60 g/mol
LogP-5.17
Rot. Bonds2

About diethylazanium perchlorate

diethylazanium perchlorate (PubChem CID 71435231) has the molecular formula C4H12ClNO4 and a molecular weight of 173.60 g/mol. Its IUPAC name is diethylazanium perchlorate.

Molecular Properties

Compound Namediethylazanium perchlorate
PubChem CID71435231
Molecular FormulaC4H12ClNO4
Molecular Weight173.60 g/mol
Exact Mass173.05
IUPAC Namediethylazanium perchlorate
SMILESCC[NH2+]CC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C4H11N.ClHO4/c1-3-5-4-2;2-1(3,4)5/h5H,3-4H2,1-2H3;(H,2,3,4,5)
InChIKeySULORKHFCYQSPZ-UHFFFAOYSA-N
XLogP-5.17
TPSA108.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 5-5.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diethylazanium perchlorate?
The IUPAC name of diethylazanium perchlorate (CID 71435231) is diethylazanium perchlorate.
What is the SMILES notation for diethylazanium perchlorate?
The canonical SMILES for diethylazanium perchlorate is CC[NH2+]CC.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of diethylazanium perchlorate?
The InChIKey is SULORKHFCYQSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.ClHO4/c1-3-5-4-2;2-1(3,4)5/h5H,3-4H2,1-2H3;(H,2,3,4,5).
What are the key properties of diethylazanium perchlorate?
diethylazanium perchlorate has a molecular weight of 173.60 g/mol, XLogP of -5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethylazanium perchlorate is sourced from PubChem (CID 71435231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).