tris(1-hydroxyethyl)azanium bromide

C6H16BrNO3 — CID 18003845

IUPACtris(1-hydroxyethyl)azanium bromide
SMILESCC(O)[NH+](C(C)O)C(C)O.[Br-]
InChIInChI=1S/C6H15NO3.BrH/c1-4(8)7(5(2)9)6(3)10;/h4-6,8-10H,1-3H3;1H
InChIKeyIXROFOIHNYYZQO-UHFFFAOYSA-N
MW230.10 g/mol
LogP-5.11
Rot. Bonds3

About tris(1-hydroxyethyl)azanium bromide

tris(1-hydroxyethyl)azanium bromide (PubChem CID 18003845) has the molecular formula C6H16BrNO3 and a molecular weight of 230.10 g/mol. Its IUPAC name is tris(1-hydroxyethyl)azanium bromide.

Molecular Properties

Compound Nametris(1-hydroxyethyl)azanium bromide
PubChem CID18003845
Molecular FormulaC6H16BrNO3
Molecular Weight230.10 g/mol
Exact Mass229.03
IUPAC Nametris(1-hydroxyethyl)azanium bromide
SMILESCC(O)[NH+](C(C)O)C(C)O.[Br-]
InChIInChI=1S/C6H15NO3.BrH/c1-4(8)7(5(2)9)6(3)10;/h4-6,8-10H,1-3H3;1H
InChIKeyIXROFOIHNYYZQO-UHFFFAOYSA-N
XLogP-5.11
TPSA65.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 5-5.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(1-hydroxyethyl)azanium bromide?
The IUPAC name of tris(1-hydroxyethyl)azanium bromide (CID 18003845) is tris(1-hydroxyethyl)azanium bromide.
What is the SMILES notation for tris(1-hydroxyethyl)azanium bromide?
The canonical SMILES for tris(1-hydroxyethyl)azanium bromide is CC(O)[NH+](C(C)O)C(C)O.[Br-].
What is the InChIKey of tris(1-hydroxyethyl)azanium bromide?
The InChIKey is IXROFOIHNYYZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.BrH/c1-4(8)7(5(2)9)6(3)10;/h4-6,8-10H,1-3H3;1H.
What are the key properties of tris(1-hydroxyethyl)azanium bromide?
tris(1-hydroxyethyl)azanium bromide has a molecular weight of 230.10 g/mol, XLogP of -5.11, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-hydroxyethyl)azanium bromide is sourced from PubChem (CID 18003845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).