diethylamino perchlorate

C4H10ClNO4 — CID 88753558

IUPACdiethylamino perchlorate
SMILESCCN(CC)O[Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C4H10ClNO4/c1-3-6(4-2)10-5(7,8)9/h3-4H2,1-2H3
InChIKeyJRXINGGXFDHOIN-UHFFFAOYSA-N
MW171.58 g/mol
LogP-2.84
Rot. Bonds4

About diethylamino perchlorate

diethylamino perchlorate (PubChem CID 88753558) has the molecular formula C4H10ClNO4 and a molecular weight of 171.58 g/mol. Its IUPAC name is diethylamino perchlorate.

Molecular Properties

Compound Namediethylamino perchlorate
PubChem CID88753558
Molecular FormulaC4H10ClNO4
Molecular Weight171.58 g/mol
Exact Mass171.03
IUPAC Namediethylamino perchlorate
SMILESCCN(CC)O[Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C4H10ClNO4/c1-3-6(4-2)10-5(7,8)9/h3-4H2,1-2H3
InChIKeyJRXINGGXFDHOIN-UHFFFAOYSA-N
XLogP-2.84
TPSA81.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.58
LogP ≤ 5-2.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(diethylaminoperoxy)-N-ethylethanamine
CID 172691752
CID 175250581
CID 175250581
N-ethyl-N-methoxy-2-phosphanylethanamine
CID 87357434
CID 23334002
CID 23334002
3-[ethoxy(ethyl)amino]propan-1-ol
CID 130124648
dimethylaminophosphanium perchlorate
CID 158506862
ethanol;ruthenium
CID 150841781
ethanol;ruthenium
CID 157358792
N-(2-ethoxyethoxy)-N-ethylethanamine
CID 159214459
N-ethyl-N-silyloxysilyloxyethanamine
CID 173375990
2-[2-(dimethylamino)ethoxy-ethylamino]ethanol
CID 175534139
perchloric acid;triethyl(methyl)azanium
CID 87764447

Frequently Asked Questions

What is the IUPAC name of diethylamino perchlorate?
The IUPAC name of diethylamino perchlorate (CID 88753558) is diethylamino perchlorate.
What is the SMILES notation for diethylamino perchlorate?
The canonical SMILES for diethylamino perchlorate is CCN(CC)O[Cl+3]([O-])([O-])[O-].
What is the InChIKey of diethylamino perchlorate?
The InChIKey is JRXINGGXFDHOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO4/c1-3-6(4-2)10-5(7,8)9/h3-4H2,1-2H3.
What are the key properties of diethylamino perchlorate?
diethylamino perchlorate has a molecular weight of 171.58 g/mol, XLogP of -2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethylamino perchlorate is sourced from PubChem (CID 88753558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).