2-aminoethanol;carbonyl dichloride

C3H7Cl2NO2 — CID 174939144

IUPAC2-aminoethanol;carbonyl dichloride
SMILESNCCO.O=C(Cl)Cl
InChIInChI=1S/C2H7NO.CCl2O/c3-1-2-4;2-1(3)4/h4H,1-3H2;
InChIKeySGQBFEOALUUAAZ-UHFFFAOYSA-N
MW160.00 g/mol
LogP0.52
Rot. Bonds1

About 2-aminoethanol;carbonyl dichloride

2-aminoethanol;carbonyl dichloride (PubChem CID 174939144) has the molecular formula C3H7Cl2NO2 and a molecular weight of 160.00 g/mol. Its IUPAC name is 2-aminoethanol;carbonyl dichloride.

Molecular Properties

Compound Name2-aminoethanol;carbonyl dichloride
PubChem CID174939144
Molecular FormulaC3H7Cl2NO2
Molecular Weight160.00 g/mol
Exact Mass158.99
IUPAC Name2-aminoethanol;carbonyl dichloride
SMILESNCCO.O=C(Cl)Cl
InChIInChI=1S/C2H7NO.CCl2O/c3-1-2-4;2-1(3)4/h4H,1-3H2;
InChIKeySGQBFEOALUUAAZ-UHFFFAOYSA-N
XLogP0.52
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.00
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

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sodium 2-aminoethanol
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2-aminoethanol;dichloromethane;hydrate
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CID 88757249
CID 88757249

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;carbonyl dichloride?
The IUPAC name of 2-aminoethanol;carbonyl dichloride (CID 174939144) is 2-aminoethanol;carbonyl dichloride.
What is the SMILES notation for 2-aminoethanol;carbonyl dichloride?
The canonical SMILES for 2-aminoethanol;carbonyl dichloride is NCCO.O=C(Cl)Cl.
What is the InChIKey of 2-aminoethanol;carbonyl dichloride?
The InChIKey is SGQBFEOALUUAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO.CCl2O/c3-1-2-4;2-1(3)4/h4H,1-3H2;.
What are the key properties of 2-aminoethanol;carbonyl dichloride?
2-aminoethanol;carbonyl dichloride has a molecular weight of 160.00 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;carbonyl dichloride is sourced from PubChem (CID 174939144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).