1-aminopropan-1-ol;butane;phosphoric acid

C7H22NO5P — CID 87838613

IUPAC1-aminopropan-1-ol;butane;phosphoric acid
SMILESCCC(N)O.CCCC.O=P(O)(O)O
InChIInChI=1S/C4H10.C3H9NO.H3O4P/c1-3-4-2;1-2-3(4)5;1-5(2,3)4/h3-4H2,1-2H3;3,5H,2,4H2,1H3;(H3,1,2,3,4)
InChIKeyOIYGTXKAUVTBJT-UHFFFAOYSA-N
MW231.23 g/mol
LogP0.55
Rot. Bonds2

About 1-aminopropan-1-ol;butane;phosphoric acid

1-aminopropan-1-ol;butane;phosphoric acid (PubChem CID 87838613) has the molecular formula C7H22NO5P and a molecular weight of 231.23 g/mol. Its IUPAC name is 1-aminopropan-1-ol;butane;phosphoric acid.

Molecular Properties

Compound Name1-aminopropan-1-ol;butane;phosphoric acid
PubChem CID87838613
Molecular FormulaC7H22NO5P
Molecular Weight231.23 g/mol
Exact Mass231.12
IUPAC Name1-aminopropan-1-ol;butane;phosphoric acid
SMILESCCC(N)O.CCCC.O=P(O)(O)O
InChIInChI=1S/C4H10.C3H9NO.H3O4P/c1-3-4-2;1-2-3(4)5;1-5(2,3)4/h3-4H2,1-2H3;3,5H,2,4H2,1H3;(H3,1,2,3,4)
InChIKeyOIYGTXKAUVTBJT-UHFFFAOYSA-N
XLogP0.55
TPSA124.01 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 50.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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

1-aminopropan-1-ol;hydrochloride
CID 18547293
butane;methane;phosphoric acid;hydrate
CID 173079168
[(1S)-1-aminopropyl]phosphonic acid
CID 6994862
1-aminopropyl(propoxy)phosphinic acid;butane
CID 88813664
hexan-2-amine;phosphoric acid;propane
CID 175129773
[(1S)-1-amino-3-hydroxypentyl]phosphonic acid
CID 15348708
1-aminopropan-1-ol;N,N-dimethylmethanamine;formic acid
CID 174691520
1-hydroxypropylphosphonic acid
CID 12625401
bis(propylamino)phosphinic acid
CID 59603177
1-dimethylphosphorylpropan-1-amine;hydrobromide
CID 159377336
1-dimethylphosphorylpropan-1-ol
CID 59649408
sodium;hexane-1,1-diamine;hydride;phosphoric acid
CID 175253619

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-1-ol;butane;phosphoric acid?
The IUPAC name of 1-aminopropan-1-ol;butane;phosphoric acid (CID 87838613) is 1-aminopropan-1-ol;butane;phosphoric acid.
What is the SMILES notation for 1-aminopropan-1-ol;butane;phosphoric acid?
The canonical SMILES for 1-aminopropan-1-ol;butane;phosphoric acid is CCC(N)O.CCCC.O=P(O)(O)O.
What is the InChIKey of 1-aminopropan-1-ol;butane;phosphoric acid?
The InChIKey is OIYGTXKAUVTBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H9NO.H3O4P/c1-3-4-2;1-2-3(4)5;1-5(2,3)4/h3-4H2,1-2H3;3,5H,2,4H2,1H3;(H3,1,2,3,4).
What are the key properties of 1-aminopropan-1-ol;butane;phosphoric acid?
1-aminopropan-1-ol;butane;phosphoric acid has a molecular weight of 231.23 g/mol, XLogP of 0.55, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-1-ol;butane;phosphoric acid is sourced from PubChem (CID 87838613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).