2,3-dihydroxypropyl(trimethyl)azanium hydroxide

C6H17NO3 — CID 21431009

IUPAC2,3-dihydroxypropyl(trimethyl)azanium hydroxide
SMILESC[N+](C)(C)CC(O)CO.[OH-]
InChIInChI=1S/C6H16NO2.H2O/c1-7(2,3)4-6(9)5-8;/h6,8-9H,4-5H2,1-3H3;1H2/q+1;/p-1
InChIKeyBCZBZQMUOZFAMQ-UHFFFAOYSA-M
MW151.21 g/mol
LogP-1.13
Rot. Bonds3

About 2,3-dihydroxypropyl(trimethyl)azanium hydroxide

2,3-dihydroxypropyl(trimethyl)azanium hydroxide (PubChem CID 21431009) has the molecular formula C6H17NO3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2,3-dihydroxypropyl(trimethyl)azanium hydroxide.

Molecular Properties

Compound Name2,3-dihydroxypropyl(trimethyl)azanium hydroxide
PubChem CID21431009
Molecular FormulaC6H17NO3
Molecular Weight151.21 g/mol
Exact Mass151.12
IUPAC Name2,3-dihydroxypropyl(trimethyl)azanium hydroxide
SMILESC[N+](C)(C)CC(O)CO.[OH-]
InChIInChI=1S/C6H16NO2.H2O/c1-7(2,3)4-6(9)5-8;/h6,8-9H,4-5H2,1-3H3;1H2/q+1;/p-1
InChIKeyBCZBZQMUOZFAMQ-UHFFFAOYSA-M
XLogP-1.13
TPSA70.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl(trimethyl)azanium hydroxide?
The IUPAC name of 2,3-dihydroxypropyl(trimethyl)azanium hydroxide (CID 21431009) is 2,3-dihydroxypropyl(trimethyl)azanium hydroxide.
What is the SMILES notation for 2,3-dihydroxypropyl(trimethyl)azanium hydroxide?
The canonical SMILES for 2,3-dihydroxypropyl(trimethyl)azanium hydroxide is C[N+](C)(C)CC(O)CO.[OH-].
What is the InChIKey of 2,3-dihydroxypropyl(trimethyl)azanium hydroxide?
The InChIKey is BCZBZQMUOZFAMQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16NO2.H2O/c1-7(2,3)4-6(9)5-8;/h6,8-9H,4-5H2,1-3H3;1H2/q+1;/p-1.
What are the key properties of 2,3-dihydroxypropyl(trimethyl)azanium hydroxide?
2,3-dihydroxypropyl(trimethyl)azanium hydroxide has a molecular weight of 151.21 g/mol, XLogP of -1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl(trimethyl)azanium hydroxide is sourced from PubChem (CID 21431009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).