2-aminoethanol;dichloromethane;hydrate

C3H11Cl2NO2 — CID 172994992

IUPAC2-aminoethanol;dichloromethane;hydrate
SMILESClCCl.NCCO.O
InChIInChI=1S/C2H7NO.CH2Cl2.H2O/c3-1-2-4;2-1-3;/h4H,1-3H2;1H2;1H2
InChIKeyTXRAEGWZIATWAW-UHFFFAOYSA-N
MW164.03 g/mol
LogP-0.47
Rot. Bonds1

About 2-aminoethanol;dichloromethane;hydrate

2-aminoethanol;dichloromethane;hydrate (PubChem CID 172994992) has the molecular formula C3H11Cl2NO2 and a molecular weight of 164.03 g/mol. Its IUPAC name is 2-aminoethanol;dichloromethane;hydrate.

Molecular Properties

Compound Name2-aminoethanol;dichloromethane;hydrate
PubChem CID172994992
Molecular FormulaC3H11Cl2NO2
Molecular Weight164.03 g/mol
Exact Mass163.02
IUPAC Name2-aminoethanol;dichloromethane;hydrate
SMILESClCCl.NCCO.O
InChIInChI=1S/C2H7NO.CH2Cl2.H2O/c3-1-2-4;2-1-3;/h4H,1-3H2;1H2;1H2
InChIKeyTXRAEGWZIATWAW-UHFFFAOYSA-N
XLogP-0.47
TPSA77.75 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.03
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 162010675
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lithium;2-aminoethanol;chloride
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2-aminoethanol;ethane
CID 90703907
tris(2-aminoethanol);2-chloroacetic acid
CID 22995154

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;dichloromethane;hydrate?
The IUPAC name of 2-aminoethanol;dichloromethane;hydrate (CID 172994992) is 2-aminoethanol;dichloromethane;hydrate.
What is the SMILES notation for 2-aminoethanol;dichloromethane;hydrate?
The canonical SMILES for 2-aminoethanol;dichloromethane;hydrate is ClCCl.NCCO.O.
What is the InChIKey of 2-aminoethanol;dichloromethane;hydrate?
The InChIKey is TXRAEGWZIATWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO.CH2Cl2.H2O/c3-1-2-4;2-1-3;/h4H,1-3H2;1H2;1H2.
What are the key properties of 2-aminoethanol;dichloromethane;hydrate?
2-aminoethanol;dichloromethane;hydrate has a molecular weight of 164.03 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;dichloromethane;hydrate is sourced from PubChem (CID 172994992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).