ethylamino nitrate

C2H6N2O3 — CID 54386330

IUPACethylamino nitrate
SMILESCCNO[N+](=O)[O-]
InChIInChI=1S/C2H6N2O3/c1-2-3-7-4(5)6/h3H,2H2,1H3
InChIKeyVDMUEKQXLWQMEF-UHFFFAOYSA-N
MW106.08 g/mol
LogP-0.28
Rot. Bonds3

About ethylamino nitrate

ethylamino nitrate (PubChem CID 54386330) has the molecular formula C2H6N2O3 and a molecular weight of 106.08 g/mol. Its IUPAC name is ethylamino nitrate.

Molecular Properties

Compound Nameethylamino nitrate
PubChem CID54386330
Molecular FormulaC2H6N2O3
Molecular Weight106.08 g/mol
Exact Mass106.04
IUPAC Nameethylamino nitrate
SMILESCCNO[N+](=O)[O-]
InChIInChI=1S/C2H6N2O3/c1-2-3-7-4(5)6/h3H,2H2,1H3
InChIKeyVDMUEKQXLWQMEF-UHFFFAOYSA-N
XLogP-0.28
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.08
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethylazanium;nitrate
CID 6432248
2-Nitroethanamine
CID 11378445
Methoxy ethyl ammonium nitrate
CID 129861958
N-(2-nitroethyl)hydroxylamine
CID 10441659
Hydroxy(propyl)azanium nitrate
CID 22114439
Ethyl(hydroxy)azanium nitrate
CID 22114449
Ethylamino nitrite
CID 22320949
(2-Aminoethylamino) nitrite
CID 57242126
1-Nitroethane-1,2-diamine
CID 85668396
(2-Aminoethylamino) nitrite;palladium
CID 87405376
1,1-Ethanediamine, 2-nitro-
CID 87642160
(2-Aminoethylamino) nitrate;palladium
CID 87666888

Frequently Asked Questions

What is the IUPAC name of ethylamino nitrate?
The IUPAC name of ethylamino nitrate (CID 54386330) is ethylamino nitrate.
What is the SMILES notation for ethylamino nitrate?
The canonical SMILES for ethylamino nitrate is CCNO[N+](=O)[O-].
What is the InChIKey of ethylamino nitrate?
The InChIKey is VDMUEKQXLWQMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O3/c1-2-3-7-4(5)6/h3H,2H2,1H3.
What are the key properties of ethylamino nitrate?
ethylamino nitrate has a molecular weight of 106.08 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylamino nitrate is sourced from PubChem (CID 54386330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).