NAV

1,3-Bis((1-methylethyl)amino)propan-2-ol

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
1,3-Bis((1-methylethyl)amino)propan-2-ol
DrugBank Accession Number
DB16631
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 174.288
Monoisotopic: 174.173213336
Chemical Formula
C9H22N2O
Synonyms
Not Available
External IDs
  • NSC-119505
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Hand Sanitizer1,3-Bis((1-methylethyl)amino)propan-2-ol (0.25 g/155g) + Didecyldimethylammonium chloride (0.45 g/155g) + Ethanol (55.29 g/155g)Aerosol, sprayTopicalLMA Services Limited2020-03-30Not applicableUS flag

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
W10T5DVF8Q
CAS number
343785-33-1
InChI Key
KUKNLWUAKYIWDI-UHFFFAOYSA-N
InChI
InChI=1S/C9H22N2O/c1-7(2)10-5-9(12)6-11-8(3)4/h7-12H,5-6H2,1-4H3
IUPAC Name
{2-hydroxy-3-[(propan-2-yl)amino]propyl}(propan-2-yl)amine
SMILES
CC(C)NCC(O)CNC(C)C

References

General References
Not Available
ChemSpider
240960
RxNav
2385341
ChEMBL
CHEMBL1193663
ZINC
ZINC000001709078

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Aerosol, sprayTopical
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
logP0.36Chemaxon
pKa (Strongest Acidic)14.53Chemaxon
pKa (Strongest Basic)10.02Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area44.29 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity51.72 m3·mol-1Chemaxon
Polarizability21.58 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0900000000-1d7f915c151edc50d2f5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-1900000000-96278bc5e2167e82ba09
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01c0-7900000000-04ac7885d2e6e9ba062e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0kmi-3900000000-acd13910c3648a8c0a8d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dm-9000000000-533b520b850b89419f98
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052r-9200000000-35f1b84fb5ba24f96142
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at March 05, 2021 17:08 / Updated at March 08, 2021 03:35