2-hydroxypropyl(trimethyl)azanium;perchloric acid

C6H17ClNO5+ — CID 87344465

IUPAC2-hydroxypropyl(trimethyl)azanium;perchloric acid
SMILESCC(O)C[N+](C)(C)C.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C6H16NO.ClHO4/c1-6(8)5-7(2,3)4;2-1(3,4)5/h6,8H,5H2,1-4H3;(H,2,3,4,5)/q+1;
InChIKeyRDBPQFAKBGZJDD-UHFFFAOYSA-N
MW218.66 g/mol
LogP-4.05
Rot. Bonds2

About 2-hydroxypropyl(trimethyl)azanium;perchloric acid

2-hydroxypropyl(trimethyl)azanium;perchloric acid (PubChem CID 87344465) has the molecular formula C6H17ClNO5+ and a molecular weight of 218.66 g/mol. Its IUPAC name is 2-hydroxypropyl(trimethyl)azanium;perchloric acid.

Molecular Properties

Compound Name2-hydroxypropyl(trimethyl)azanium;perchloric acid
PubChem CID87344465
Molecular FormulaC6H17ClNO5+
Molecular Weight218.66 g/mol
Exact Mass218.08
IUPAC Name2-hydroxypropyl(trimethyl)azanium;perchloric acid
SMILESCC(O)C[N+](C)(C)C.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C6H16NO.ClHO4/c1-6(8)5-7(2,3)4;2-1(3,4)5/h6,8H,5H2,1-4H3;(H,2,3,4,5)/q+1;
InChIKeyRDBPQFAKBGZJDD-UHFFFAOYSA-N
XLogP-4.05
TPSA109.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 5-4.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxypropyl(trimethyl)azanium iodide
CID 10263892
bis(2-hydroxypropyl(trimethyl)azanium);dichloride;hydrate
CID 173377336
N,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium
CID 87756343
carbonic acid;2-hydroxypropyl(trimethyl)azanium
CID 174974136
azane;formic acid;2-hydroxypropyl(trimethyl)azanium
CID 174711582
2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride
CID 175459038
1-hydroxy-2-(trimethylazaniumyl)ethanolate
CID 57464204
perchloric acid;trimethyl(octadecyl)azanium
CID 87344309
2-hydroxypropyl(trimethyl)azanium;octadecanoate
CID 141310032
2-hydroxypropyl(trimethyl)azanium;prop-2-enamide;chloride
CID 160609896
2-hydroxypropyl(trimethyl)azanium;8-methylnonanoate
CID 86734985
CID 160650971
CID 160650971

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl(trimethyl)azanium;perchloric acid?
The IUPAC name of 2-hydroxypropyl(trimethyl)azanium;perchloric acid (CID 87344465) is 2-hydroxypropyl(trimethyl)azanium;perchloric acid.
What is the SMILES notation for 2-hydroxypropyl(trimethyl)azanium;perchloric acid?
The canonical SMILES for 2-hydroxypropyl(trimethyl)azanium;perchloric acid is CC(O)C[N+](C)(C)C.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of 2-hydroxypropyl(trimethyl)azanium;perchloric acid?
The InChIKey is RDBPQFAKBGZJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO.ClHO4/c1-6(8)5-7(2,3)4;2-1(3,4)5/h6,8H,5H2,1-4H3;(H,2,3,4,5)/q+1;.
What are the key properties of 2-hydroxypropyl(trimethyl)azanium;perchloric acid?
2-hydroxypropyl(trimethyl)azanium;perchloric acid has a molecular weight of 218.66 g/mol, XLogP of -4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl(trimethyl)azanium;perchloric acid is sourced from PubChem (CID 87344465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).