ethyl 2-hydrazinylacetate;dihydrochloride

C4H12Cl2N2O2 — CID 134690713

IUPACethyl 2-hydrazinylacetate;dihydrochloride
SMILESCCOC(=O)CNN.Cl.Cl
InChIInChI=1S/C4H10N2O2.2ClH/c1-2-8-4(7)3-6-5;;/h6H,2-3,5H2,1H3;2*1H
InChIKeyVNXBGRMBUZPHAO-UHFFFAOYSA-N
MW191.06 g/mol
LogP-0.14
Rot. Bonds3

About ethyl 2-hydrazinylacetate;dihydrochloride

ethyl 2-hydrazinylacetate;dihydrochloride (PubChem CID 134690713) has the molecular formula C4H12Cl2N2O2 and a molecular weight of 191.06 g/mol. Its IUPAC name is ethyl 2-hydrazinylacetate;dihydrochloride.

Molecular Properties

Compound Nameethyl 2-hydrazinylacetate;dihydrochloride
PubChem CID134690713
Molecular FormulaC4H12Cl2N2O2
Molecular Weight191.06 g/mol
Exact Mass190.03
IUPAC Nameethyl 2-hydrazinylacetate;dihydrochloride
SMILESCCOC(=O)CNN.Cl.Cl
InChIInChI=1S/C4H10N2O2.2ClH/c1-2-8-4(7)3-6-5;;/h6H,2-3,5H2,1H3;2*1H
InChIKeyVNXBGRMBUZPHAO-UHFFFAOYSA-N
XLogP-0.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydrazinylacetate;dihydrochloride?
The IUPAC name of ethyl 2-hydrazinylacetate;dihydrochloride (CID 134690713) is ethyl 2-hydrazinylacetate;dihydrochloride.
What is the SMILES notation for ethyl 2-hydrazinylacetate;dihydrochloride?
The canonical SMILES for ethyl 2-hydrazinylacetate;dihydrochloride is CCOC(=O)CNN.Cl.Cl.
What is the InChIKey of ethyl 2-hydrazinylacetate;dihydrochloride?
The InChIKey is VNXBGRMBUZPHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2.2ClH/c1-2-8-4(7)3-6-5;;/h6H,2-3,5H2,1H3;2*1H.
What are the key properties of ethyl 2-hydrazinylacetate;dihydrochloride?
ethyl 2-hydrazinylacetate;dihydrochloride has a molecular weight of 191.06 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydrazinylacetate;dihydrochloride is sourced from PubChem (CID 134690713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).