1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid

C7H23N2O6P — CID 174561283

IUPAC1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid
SMILESCCOC(C)(N)O.CN(C)C.O=P(O)(O)O
InChIInChI=1S/C4H11NO2.C3H9N.H3O4P/c1-3-7-4(2,5)6;1-4(2)3;1-5(2,3)4/h6H,3,5H2,1-2H3;1-3H3;(H3,1,2,3,4)
InChIKeyXLSMLATZOHQIME-UHFFFAOYSA-N
MW262.24 g/mol
LogP-1.10
Rot. Bonds2

About 1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid

1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid (PubChem CID 174561283) has the molecular formula C7H23N2O6P and a molecular weight of 262.24 g/mol. Its IUPAC name is 1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid.

Molecular Properties

Compound Name1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid
PubChem CID174561283
Molecular FormulaC7H23N2O6P
Molecular Weight262.24 g/mol
Exact Mass262.13
IUPAC Name1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid
SMILESCCOC(C)(N)O.CN(C)C.O=P(O)(O)O
InChIInChI=1S/C4H11NO2.C3H9N.H3O4P/c1-3-7-4(2,5)6;1-4(2)3;1-5(2,3)4/h6H,3,5H2,1-2H3;1-3H3;(H3,1,2,3,4)
InChIKeyXLSMLATZOHQIME-UHFFFAOYSA-N
XLogP-1.10
TPSA136.48 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 5-1.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid
CID 87344448
1,1-diethoxyethyl(ethoxy)phosphinic acid
CID 150387387
sodium;1,1-diethoxyethyl dihydrogen phosphate;hydride
CID 175400534
butane-2,2,3,3-tetrol;phosphoric acid
CID 172831212
1,1-diethoxyethyl methyl hydrogen phosphate
CID 175400532
1,1-diethoxyethyl(difluoromethyl)phosphinic acid
CID 19988595
2-amino-1-(dimethylamino)-1-ethoxyethanol
CID 172791475
1-amino-1-ethoxyethanol;2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
CID 90019921
1-amino-2-ethoxypropan-2-ol
CID 174792064
ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid
CID 139581745
2-ethoxy-2-hydroxypropanediamide
CID 45122517
acetic acid;triethoxymethanamine
CID 175078602

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid?
The IUPAC name of 1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid (CID 174561283) is 1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid.
What is the SMILES notation for 1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid?
The canonical SMILES for 1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid is CCOC(C)(N)O.CN(C)C.O=P(O)(O)O.
What is the InChIKey of 1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid?
The InChIKey is XLSMLATZOHQIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.C3H9N.H3O4P/c1-3-7-4(2,5)6;1-4(2)3;1-5(2,3)4/h6H,3,5H2,1-2H3;1-3H3;(H3,1,2,3,4).
What are the key properties of 1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid?
1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid has a molecular weight of 262.24 g/mol, XLogP of -1.10, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid is sourced from PubChem (CID 174561283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).