2-aminoethanol;azane;trihydrate

C2H19N3O4 — CID 173457849

IUPAC2-aminoethanol;azane;trihydrate
SMILESN.N.NCCO.O.O.O
InChIInChI=1S/C2H7NO.2H3N.3H2O/c3-1-2-4;;;;;/h4H,1-3H2;2*1H3;3*1H2
InChIKeyWWRYPTASPBPMDD-UHFFFAOYSA-N
MW149.19 g/mol
LogP-3.21
Rot. Bonds1

About 2-aminoethanol;azane;trihydrate

2-aminoethanol;azane;trihydrate (PubChem CID 173457849) has the molecular formula C2H19N3O4 and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-aminoethanol;azane;trihydrate.

Molecular Properties

Compound Name2-aminoethanol;azane;trihydrate
PubChem CID173457849
Molecular FormulaC2H19N3O4
Molecular Weight149.19 g/mol
Exact Mass149.14
IUPAC Name2-aminoethanol;azane;trihydrate
SMILESN.N.NCCO.O.O.O
InChIInChI=1S/C2H7NO.2H3N.3H2O/c3-1-2-4;;;;;/h4H,1-3H2;2*1H3;3*1H2
InChIKeyWWRYPTASPBPMDD-UHFFFAOYSA-N
XLogP-3.21
TPSA210.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-3.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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lithium;2-aminoethanol;chloride
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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;azane;trihydrate?
The IUPAC name of 2-aminoethanol;azane;trihydrate (CID 173457849) is 2-aminoethanol;azane;trihydrate.
What is the SMILES notation for 2-aminoethanol;azane;trihydrate?
The canonical SMILES for 2-aminoethanol;azane;trihydrate is N.N.NCCO.O.O.O.
What is the InChIKey of 2-aminoethanol;azane;trihydrate?
The InChIKey is WWRYPTASPBPMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO.2H3N.3H2O/c3-1-2-4;;;;;/h4H,1-3H2;2*1H3;3*1H2.
What are the key properties of 2-aminoethanol;azane;trihydrate?
2-aminoethanol;azane;trihydrate has a molecular weight of 149.19 g/mol, XLogP of -3.21, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;azane;trihydrate is sourced from PubChem (CID 173457849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).