CAS 2605-79-0|N,N-dimethyldecanamine oxide|Decylamine-N,N-Dimethyl-N-Oxide|N,N-dimethyldecanamine oxide|DDAO|N,N-Dimethyldecylamine N-oxide solution|N,N-Dimethyldecylamine N-oxide|N,N-Dimethyldecyla...

General Information

Structure

Molecular Formula

C₁₂H₂₇NO

Molecular Mass

201.34888

Exact Mass

201.20926449

Charge

InChI

InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3

InChIKey

ZRKZFNZPJKEWPC-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCCC[N+](C)(C)[O-]

Isomeric Smiles

[N+]([O-])(C)(C)CCCCCCCCCC

Calculated Properties

JChem

LogD (pH = 7.4)

3.06

LogD (pH = 5.5)

3.05

Log P

3.06

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

4.48

Polar Surface Area

23.06

Polarizability

26.88

Molar Refractivity

63.51

LOG S

-3.94

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

N,N-dimethyldecanamine oxide

Synonyms

Decylamine-N,N-Dimethyl-N-OxideDDAON,N-Dimethyldecylamine N-oxide solutionN,N-Dimethyldecylamine N-oxideN,N-Dimethyldecylamine N-oxide solutionDetergent Screening Solution 42/Fluka kit no 66317N,N-Dimethyldecylamine N-oxide 100 mM solutionN,N-Dimethyl-1-decanamine-N-oxideDecylamine oxideN,N-dimethyldecylamine N-oxideCapric dimethyl amine oxideDecyl dimethyl amine oxidedecylamine-N,N-dimethyl-N-oxide

IUPAC Traditional name

N,N-dimethyldecanamine oxide decylamine oxide

Names and Identifiers

Registration numbers

PubChem SID

465069531609657922486498224864980223442547

PubChem CID

62452

MDL Number

MFCD00082523

Beilstein Number

2352550