dihydrogen phosphate;2-hydroxyethyl-dimethyl-propylazanium

C7H20NO5P — CID 23459330

IUPACdihydrogen phosphate;2-hydroxyethyl-dimethyl-propylazanium
SMILESCCC[N+](C)(C)CCO.O=P([O-])(O)O
InChIInChI=1S/C7H18NO.H3O4P/c1-4-5-8(2,3)6-7-9;1-5(2,3)4/h9H,4-7H2,1-3H3;(H3,1,2,3,4)/q+1;/p-1
InChIKeyJFGVSUPVGOCEDG-UHFFFAOYSA-M
MW229.21 g/mol
LogP-1.10
Rot. Bonds4

About dihydrogen phosphate;2-hydroxyethyl-dimethyl-propylazanium

dihydrogen phosphate;2-hydroxyethyl-dimethyl-propylazanium (PubChem CID 23459330) has the molecular formula C7H20NO5P and a molecular weight of 229.21 g/mol. Its IUPAC name is dihydrogen phosphate;2-hydroxyethyl-dimethyl-propylazanium.

Molecular Properties

Compound Namedihydrogen phosphate;2-hydroxyethyl-dimethyl-propylazanium
PubChem CID23459330
Molecular FormulaC7H20NO5P
Molecular Weight229.21 g/mol
Exact Mass229.11
IUPAC Namedihydrogen phosphate;2-hydroxyethyl-dimethyl-propylazanium
SMILESCCC[N+](C)(C)CCO.O=P([O-])(O)O
InChIInChI=1S/C7H18NO.H3O4P/c1-4-5-8(2,3)6-7-9;1-5(2,3)4/h9H,4-7H2,1-3H3;(H3,1,2,3,4)/q+1;/p-1
InChIKeyJFGVSUPVGOCEDG-UHFFFAOYSA-M
XLogP-1.10
TPSA100.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium
CID 22833505
dihydrogen phosphate;dodecyl-dimethyl-nonylazanium
CID 122481275
decyl-dimethyl-octylazanium;dihydrogen phosphate
CID 122481601
5-[dimethyl(propyl)azaniumyl]pentyl-(2-hydroxyethyl)-dimethylazanium dibromide
CID 159049358
hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate
CID 22266794
dihydrogen phosphate;ethyl-dimethyl-pentylazanium
CID 122482074
tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate
CID 57350182
potassium;dihydrogen phosphate;ethanol
CID 160928957
docosan-1-amine;2-hydroxyethyl-dimethyl-propylazanium
CID 87193109
diethyl-hexyl-methylazanium;dihydrogen phosphate
CID 173126530
dimethyl(dipropyl)azanium chloride
CID 19774441
tris(2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium);phosphate
CID 71437403

Frequently Asked Questions

What is the IUPAC name of dihydrogen phosphate;2-hydroxyethyl-dimethyl-propylazanium?
The IUPAC name of dihydrogen phosphate;2-hydroxyethyl-dimethyl-propylazanium (CID 23459330) is dihydrogen phosphate;2-hydroxyethyl-dimethyl-propylazanium.
What is the SMILES notation for dihydrogen phosphate;2-hydroxyethyl-dimethyl-propylazanium?
The canonical SMILES for dihydrogen phosphate;2-hydroxyethyl-dimethyl-propylazanium is CCC[N+](C)(C)CCO.O=P([O-])(O)O.
What is the InChIKey of dihydrogen phosphate;2-hydroxyethyl-dimethyl-propylazanium?
The InChIKey is JFGVSUPVGOCEDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18NO.H3O4P/c1-4-5-8(2,3)6-7-9;1-5(2,3)4/h9H,4-7H2,1-3H3;(H3,1,2,3,4)/q+1;/p-1.
What are the key properties of dihydrogen phosphate;2-hydroxyethyl-dimethyl-propylazanium?
dihydrogen phosphate;2-hydroxyethyl-dimethyl-propylazanium has a molecular weight of 229.21 g/mol, XLogP of -1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydrogen phosphate;2-hydroxyethyl-dimethyl-propylazanium is sourced from PubChem (CID 23459330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).