amino ethyl carbonate;ethanol

C7H19NO5 — CID 158439485

IUPACamino ethyl carbonate;ethanol
SMILESCCO.CCO.CCOC(=O)ON
InChIInChI=1S/C3H7NO3.2C2H6O/c1-2-6-3(5)7-4;2*1-2-3/h2,4H2,1H3;2*3H,2H2,1H3
InChIKeyHCQDQLBDBFDUBM-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.03
Rot. Bonds1

About amino ethyl carbonate;ethanol

amino ethyl carbonate;ethanol (PubChem CID 158439485) has the molecular formula C7H19NO5 and a molecular weight of 197.23 g/mol. Its IUPAC name is amino ethyl carbonate;ethanol.

Molecular Properties

Compound Nameamino ethyl carbonate;ethanol
PubChem CID158439485
Molecular FormulaC7H19NO5
Molecular Weight197.23 g/mol
Exact Mass197.13
IUPAC Nameamino ethyl carbonate;ethanol
SMILESCCO.CCO.CCOC(=O)ON
InChIInChI=1S/C3H7NO3.2C2H6O/c1-2-6-3(5)7-4;2*1-2-3/h2,4H2,1H3;2*3H,2H2,1H3
InChIKeyHCQDQLBDBFDUBM-UHFFFAOYSA-N
XLogP0.03
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

amino ethyl carbonate;ethylhydrazine
CID 174534035
ethanol;ethyl methyl carbonate
CID 161101393
diethyl carbonate;ethane-1,2-diol
CID 19764063
CID 175796855
CID 175796855
magnesium;diethyl carbonate;hydride
CID 173249173
acetylene;diethyl carbonate
CID 87073597
ethanol;ethyl acetate
CID 173022006
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
CID 159370772
CID 159370772
ethyl fluoro carbonate
CID 18542699
ethanol;ethyl acetate;hydrate
CID 86601158
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918

Frequently Asked Questions

What is the IUPAC name of amino ethyl carbonate;ethanol?
The IUPAC name of amino ethyl carbonate;ethanol (CID 158439485) is amino ethyl carbonate;ethanol.
What is the SMILES notation for amino ethyl carbonate;ethanol?
The canonical SMILES for amino ethyl carbonate;ethanol is CCO.CCO.CCOC(=O)ON.
What is the InChIKey of amino ethyl carbonate;ethanol?
The InChIKey is HCQDQLBDBFDUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3.2C2H6O/c1-2-6-3(5)7-4;2*1-2-3/h2,4H2,1H3;2*3H,2H2,1H3.
What are the key properties of amino ethyl carbonate;ethanol?
amino ethyl carbonate;ethanol has a molecular weight of 197.23 g/mol, XLogP of 0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino ethyl carbonate;ethanol is sourced from PubChem (CID 158439485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).