tetrakis(3-hydroxypropyl)azanium chloride

C12H28ClNO4 — CID 19093166

IUPACtetrakis(3-hydroxypropyl)azanium chloride
SMILESOCCC[N+](CCCO)(CCCO)CCCO.[Cl-]
InChIInChI=1S/C12H28NO4.ClH/c14-9-1-5-13(6-2-10-15,7-3-11-16)8-4-12-17;/h14-17H,1-12H2;1H/q+1;/p-1
InChIKeyROQKALVAPBRDQG-UHFFFAOYSA-M
MW285.81 g/mol
LogP-3.66
Rot. Bonds12

About tetrakis(3-hydroxypropyl)azanium chloride

tetrakis(3-hydroxypropyl)azanium chloride (PubChem CID 19093166) has the molecular formula C12H28ClNO4 and a molecular weight of 285.81 g/mol. Its IUPAC name is tetrakis(3-hydroxypropyl)azanium chloride.

Molecular Properties

Compound Nametetrakis(3-hydroxypropyl)azanium chloride
PubChem CID19093166
Molecular FormulaC12H28ClNO4
Molecular Weight285.81 g/mol
Exact Mass285.17
IUPAC Nametetrakis(3-hydroxypropyl)azanium chloride
SMILESOCCC[N+](CCCO)(CCCO)CCCO.[Cl-]
InChIInChI=1S/C12H28NO4.ClH/c14-9-1-5-13(6-2-10-15,7-3-11-16)8-4-12-17;/h14-17H,1-12H2;1H/q+1;/p-1
InChIKeyROQKALVAPBRDQG-UHFFFAOYSA-M
XLogP-3.66
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 5-3.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(4-hydroxybutyl)azanium
CID 19093141
nickel(2+);tetrakis(4-hydroxybutyl)azanium
CID 159796209
butyl-hexyl-(3-hydroxypropyl)-pentylazanium chloride
CID 139954430
butyl-(3-hydroxypropyl)-dipentylazanium bromide
CID 139955349
diethyl-bis(3-hydroxypropyl)azanium hydroxide
CID 22731865
tridodecyl(12-hydroxydodecyl)azanium
CID 87522779
trihexyl(4-hydroxybutyl)azanium
CID 139954036
tris(4-hydroxybutyl)-octylazanium
CID 175345336
tributyl(10-hydroxydecyl)azanium
CID 86017062
2-hydroxyethyl(trioctyl)azanium chloride
CID 19925949
decyl-tris(2-hydroxyethyl)azanium chloride
CID 14854094
trihexyl(4-hydroxybutyl)azanium iodide
CID 139954035

Frequently Asked Questions

What is the IUPAC name of tetrakis(3-hydroxypropyl)azanium chloride?
The IUPAC name of tetrakis(3-hydroxypropyl)azanium chloride (CID 19093166) is tetrakis(3-hydroxypropyl)azanium chloride.
What is the SMILES notation for tetrakis(3-hydroxypropyl)azanium chloride?
The canonical SMILES for tetrakis(3-hydroxypropyl)azanium chloride is OCCC[N+](CCCO)(CCCO)CCCO.[Cl-].
What is the InChIKey of tetrakis(3-hydroxypropyl)azanium chloride?
The InChIKey is ROQKALVAPBRDQG-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H28NO4.ClH/c14-9-1-5-13(6-2-10-15,7-3-11-16)8-4-12-17;/h14-17H,1-12H2;1H/q+1;/p-1.
What are the key properties of tetrakis(3-hydroxypropyl)azanium chloride?
tetrakis(3-hydroxypropyl)azanium chloride has a molecular weight of 285.81 g/mol, XLogP of -3.66, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3-hydroxypropyl)azanium chloride is sourced from PubChem (CID 19093166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).