1-aminoethanol;dihydrate

C2H11NO3 — CID 174522772

IUPAC1-aminoethanol;dihydrate
SMILESCC(N)O.O.O
InChIInChI=1S/C2H7NO.2H2O/c1-2(3)4;;/h2,4H,3H2,1H3;2*1H2
InChIKeyUWMDUAYNMWHPLY-UHFFFAOYSA-N
MW97.11 g/mol
LogP-2.37
Rot. Bonds

About 1-aminoethanol;dihydrate

1-aminoethanol;dihydrate (PubChem CID 174522772) has the molecular formula C2H11NO3 and a molecular weight of 97.11 g/mol. Its IUPAC name is 1-aminoethanol;dihydrate.

Molecular Properties

Compound Name1-aminoethanol;dihydrate
PubChem CID174522772
Molecular FormulaC2H11NO3
Molecular Weight97.11 g/mol
Exact Mass97.07
IUPAC Name1-aminoethanol;dihydrate
SMILESCC(N)O.O.O
InChIInChI=1S/C2H7NO.2H2O/c1-2(3)4;;/h2,4H,3H2,1H3;2*1H2
InChIKeyUWMDUAYNMWHPLY-UHFFFAOYSA-N
XLogP-2.37
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.11
LogP ≤ 5-2.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,1-diol;hydrate
CID 86643495
acetic acid;1-aminoethanol
CID 87647185
(2S)-3-aminobutan-2-ol
CID 90804830
(2R)-3-aminobutan-2-ol
CID 141331265
propan-2-amine;hydrate;hydrochloride
CID 162153809
hexakis(ethane-1,1-diol);lanthanum;tetrahydrate
CID 5254960
tris(propan-2-ol);titanium;hydrate
CID 22645817
hexakis(ethane-1,1-diol);zinc;hydrate
CID 177286593
hydroxylamine;propan-2-ol
CID 22024851
propan-2-ol;dihydrate;trihydrochloride
CID 172856873
2,4-diaminopentan-3-ol
CID 88907217
(2R,3R)-3-aminobutan-2-ol;hydron
CID 173377832

Frequently Asked Questions

What is the IUPAC name of 1-aminoethanol;dihydrate?
The IUPAC name of 1-aminoethanol;dihydrate (CID 174522772) is 1-aminoethanol;dihydrate.
What is the SMILES notation for 1-aminoethanol;dihydrate?
The canonical SMILES for 1-aminoethanol;dihydrate is CC(N)O.O.O.
What is the InChIKey of 1-aminoethanol;dihydrate?
The InChIKey is UWMDUAYNMWHPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO.2H2O/c1-2(3)4;;/h2,4H,3H2,1H3;2*1H2.
What are the key properties of 1-aminoethanol;dihydrate?
1-aminoethanol;dihydrate has a molecular weight of 97.11 g/mol, XLogP of -2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethanol;dihydrate is sourced from PubChem (CID 174522772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).