trimethyl(propyl)azanium chloride

• ChemBase ID: 179245
• Molecular Formular: C6H16ClN
• Molecular Mass: 137.65094
• Monoisotopic Mass: 137.0971272
• SMILES: [N+](CCC)(C)(C)C.[Cl-]
• Canonical SMILES: CCC[N+](C)(C)C.[Cl-]
• InChI: InChI=1S/C6H16N.ClH/c1-5-6-7(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
• InChIKey: NRWCNEBHECBWRJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(propyl)azanium chloride
• IUPAC Traditional name: nervonyl carnitine chloride
• Synonyms: N,N,N-Trimethyl-1-propanaminium Chloride; PTAC; Trimethylpropylammonium Chloride

Database IDs

• CAS Number: 2877-24-9
• PubChem SID: 164235155
• PubChem CID: 15461386

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.0928369
• LogD (pH = 7.4): -3.0928369
• Log P: -3.0928369
• Molar Refractivity: 45.1743 cm^3
• Polarizability: 13.265366 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - T796665

Trimethylpropylammonium chloride is an alkyltrimethylammonium ion which has effect on the thermostability of natural and modified DNA duplexes.

REFERENCES

• Shapiro, J., et al.: Biochemistry, 8, 3233 (1969)
• Bains, W., et al.: J. Theor. Biol., 135, 303 (1969)
• Fodor, S., et al.: Science, 251, 767 (1969)
• Person, A., et al.: J. Biol. Chem., 268, 3546 (1969)