1-aminoethane-1,1-diol;hydrochloride

C2H8ClNO2 — CID 173034802

IUPAC1-aminoethane-1,1-diol;hydrochloride
SMILESCC(N)(O)O.Cl
InChIInChI=1S/C2H7NO2.ClH/c1-2(3,4)5;/h4-5H,3H2,1H3;1H
InChIKeyKJPLPEATYLNJDE-UHFFFAOYSA-N
MW113.54 g/mol
LogP-0.97
Rot. Bonds

About 1-aminoethane-1,1-diol;hydrochloride

1-aminoethane-1,1-diol;hydrochloride (PubChem CID 173034802) has the molecular formula C2H8ClNO2 and a molecular weight of 113.54 g/mol. Its IUPAC name is 1-aminoethane-1,1-diol;hydrochloride.

Molecular Properties

Compound Name1-aminoethane-1,1-diol;hydrochloride
PubChem CID173034802
Molecular FormulaC2H8ClNO2
Molecular Weight113.54 g/mol
Exact Mass113.02
IUPAC Name1-aminoethane-1,1-diol;hydrochloride
SMILESCC(N)(O)O.Cl
InChIInChI=1S/C2H7NO2.ClH/c1-2(3,4)5;/h4-5H,3H2,1H3;1H
InChIKeyKJPLPEATYLNJDE-UHFFFAOYSA-N
XLogP-0.97
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.54
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminoethane-1,1-diol;hydrochloride?
The IUPAC name of 1-aminoethane-1,1-diol;hydrochloride (CID 173034802) is 1-aminoethane-1,1-diol;hydrochloride.
What is the SMILES notation for 1-aminoethane-1,1-diol;hydrochloride?
The canonical SMILES for 1-aminoethane-1,1-diol;hydrochloride is CC(N)(O)O.Cl.
What is the InChIKey of 1-aminoethane-1,1-diol;hydrochloride?
The InChIKey is KJPLPEATYLNJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO2.ClH/c1-2(3,4)5;/h4-5H,3H2,1H3;1H.
What are the key properties of 1-aminoethane-1,1-diol;hydrochloride?
1-aminoethane-1,1-diol;hydrochloride has a molecular weight of 113.54 g/mol, XLogP of -0.97, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethane-1,1-diol;hydrochloride is sourced from PubChem (CID 173034802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).