methanol;methylaminomethanol;hydrate

C4H17NO4 — CID 173447540

IUPACmethanol;methylaminomethanol;hydrate
SMILESCNCO.CO.CO.O
InChIInChI=1S/C2H7NO.2CH4O.H2O/c1-3-2-4;2*1-2;/h3-4H,2H2,1H3;2*2H,1H3;1H2
InChIKeyVXDHOMWGIYKJPB-UHFFFAOYSA-N
MW143.18 g/mol
LogP-2.45
Rot. Bonds1

About methanol;methylaminomethanol;hydrate

methanol;methylaminomethanol;hydrate (PubChem CID 173447540) has the molecular formula C4H17NO4 and a molecular weight of 143.18 g/mol. Its IUPAC name is methanol;methylaminomethanol;hydrate.

Molecular Properties

Compound Namemethanol;methylaminomethanol;hydrate
PubChem CID173447540
Molecular FormulaC4H17NO4
Molecular Weight143.18 g/mol
Exact Mass143.12
IUPAC Namemethanol;methylaminomethanol;hydrate
SMILESCNCO.CO.CO.O
InChIInChI=1S/C2H7NO.2CH4O.H2O/c1-3-2-4;2*1-2;/h3-4H,2H2,1H3;2*2H,1H3;1H2
InChIKeyVXDHOMWGIYKJPB-UHFFFAOYSA-N
XLogP-2.45
TPSA104.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.18
LogP ≤ 5-2.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 methanol;methylaminomethanol;hydrate?
The IUPAC name of methanol;methylaminomethanol;hydrate (CID 173447540) is methanol;methylaminomethanol;hydrate.
What is the SMILES notation for methanol;methylaminomethanol;hydrate?
The canonical SMILES for methanol;methylaminomethanol;hydrate is CNCO.CO.CO.O.
What is the InChIKey of methanol;methylaminomethanol;hydrate?
The InChIKey is VXDHOMWGIYKJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO.2CH4O.H2O/c1-3-2-4;2*1-2;/h3-4H,2H2,1H3;2*2H,1H3;1H2.
What are the key properties of methanol;methylaminomethanol;hydrate?
methanol;methylaminomethanol;hydrate has a molecular weight of 143.18 g/mol, XLogP of -2.45, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methylaminomethanol;hydrate is sourced from PubChem (CID 173447540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).