Chemical Properties of Methanamine, N,N-dimethyl-, N-oxide (CAS 1184-78-7)

InChI

InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3

InChI Key

UYPYRKYUKCHHIB-UHFFFAOYSA-N

Formula

C3H9NO

SMILES

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

Molecular Weight¹

75.11

CAS

1184-78-7

Other Names

• N,N-dimethylmethanamine N-oxide
• TMAO
• Triox
• trimethylamine oxide
• trimethylamine, N-oxide

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2513		Relay (1.0) Calculated Property
PAff	983.20	kJ/mol	NIST
BasG	953.50	kJ/mol	NIST
ΔfG°	10.47	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-196.66	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	41.16	kJ/mol	Relay (1.0) Calculated Property
IE	[8.27; 8.38]	eV
IE	8.38 ± 0.04	eV	NIST
IE	8.27	eV	NIST
log10WS	0.51		Relay (1.0) Calculated Property
logPoct/wat	0.190		Crippen Calculated Property
McVol	68.980	ml/mol	McGowan Calculated Property
Pc	3890.85	kPa	Relay (1.0-beta) Calculated Property
Tboil	327.38	K	Relay (1.0) Calculated Property
Tc	492.14	K	Relay (1.0) Calculated Property
Tfus	515.35	K	Relay (1.0) Calculated Property
Vc	0.250	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Methanamine, N,N-dimethyl-, N-oxide.

Mixtures

• Water + Methanamine, N,N-dimethyl-, N-oxide
• Glycine + Water + Methanamine, N,N-dimethyl-, N-oxide
• D-Alanine + Water + Methanamine, N,N-dimethyl-, N-oxide
• dl-2-Aminobutyric acid + Water + Methanamine, N,N-dimethyl-, N-oxide
• D-Valine + Water + Methanamine, N,N-dimethyl-, N-oxide
• D-Leucine + Water + Methanamine, N,N-dimethyl-, N-oxide
• N-Glycylglycine + Water + Methanamine, N,N-dimethyl-, N-oxide
• Water + Methanamine, N,N-dimethyl-, N-oxide + N-(N-Glycylglycyl)glycine
• L-Leucine, N-glycyl- + Water + Methanamine, N,N-dimethyl-, N-oxide
• Glycylglycylglycylglycine + Water + Methanamine, N,N-dimethyl-, N-oxide

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Compatible solutes: Thermodynamic properties relevant for effective protection against osmotic stress
• Thermodynamics of the interactions of a homologous series of some amino acids with trimethylamine N-oxide: Volumetric, compressibility, and calorimetric studies
• Interactions of some short peptides with the osmolyte trimethylamine N-oxide in aqueous solution: physico-chemical insights
• The hydration of the protein stabilizing agents: Trimethylamine-N-oxide, glycine and its N-methylderivatives The volumetric and compressibility studies
• Physicochemical properties of L-carnitine in aqueous solution and its interaction with trimethylamine N-oxide, sodium chloride and dextrose: Volumetric and calorimetric insights
• Counteracting effects of trimethylamine N-oxide and betaine on the interactions of urea with zwitterionic glycine peptides
• Density and Volumetric Properties of Aqueous Solutions of Trimethylamine N-Oxide in the Temperature Range from (278.15 to 323.15) K and at Pressures up to 100 MPa
• McGowan Method
• NIST Webbook

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