Record Information
Version1.0
Creation date2010-04-08 22:06:01 UTC
Update date2018-05-29 00:39:11 UTC
Primary IDFDB003958
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameMethylamine
DescriptionMethylamine is a colourless gas derivative of ammonia, but with one H atom replaced by a methyl group. It is the simplest primary amine. It has a strong odor similar to fish. Methylamine is used as a building block for the synthesis of many other commercially available compounds. Hundreds of millions of kilograms are produced annually. Methylamine is found in many foods, some of which are french plantain, tea, barley, and wild celery.
CAS Number74-89-5
Structure
Thumb
Synonyms
SynonymSource
AminomethaneChEBI
CH3-NH2ChEBI
MeNH2ChEBI
MethanamineChEBI
MMAChEBI
MonomethylamineChEBI
Anhydrous methylamineHMDB
CarbinamineHMDB
ImizinHMDB
MercurialinHMDB
Methyl groupHMDB
Methyl OF gamma-N-methylasparagineHMDB
Methylamine anhydrousHMDB
Methylamine aqueous solutionHMDB
Methylamine solutionHMDB
Methylamine solutionsHMDB
MethylaminenHMDB
MetilamineHMDB
MetyloaminaHMDB
N-MethylamineHMDB
NMAHMDB
NMEHMDB
Methylamine ion (1-)HMDB
Methylamine nitrateHMDB
Methylamine perchlorateHMDB
Methylamine sulfate (1:1)HMDB
Methylamine sulfate (2:1)HMDB
Methylamine, 13C-labeledHMDB
Methylamine, 14C-labeledHMDB
Methylamine, 15N-labeledHMDB
Methylamine hydrobromideHMDB
Methylamine hydrochloride, 14C-labeledHMDB
Methylamine, cesium saltHMDB
Methylamine, monopotassium saltHMDB
MethylammoniumHMDB
Methylammonium ionHMDB
Methylamine hydroiodideHMDB
Methylamine, monosodium saltHMDB
Methylamine bisulfiteHMDB
Methylamine hydrideHMDB
Methylamine hydrochlorideHMDB
Methylamine hydrofluorideHMDB
Methylamine hydrogen cyanideHMDB
Monomethylammonium ionHMDB
Methylaminebiospider
Predicted Properties
PropertyValueSource
Water Solubility367 g/LALOGPS
logP-1.1ALOGPS
logP-0.63ChemAxon
logS1.07ALOGPS
pKa (Strongest Basic)10.08ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area26.02 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity9.92 m³·mol⁻¹ChemAxon
Polarizability3.86 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaCH5N
IUPAC namemethanamine
InChI IdentifierInChI=1S/CH5N/c1-2/h2H2,1H3
InChI KeyBAVYZALUXZFZLV-UHFFFAOYSA-N
Isomeric SMILESCN
Average Molecular Weight31.0571
Monoisotopic Molecular Weight31.042199165
Classification
Description belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct ParentMonoalkylamines
Alternative Parents
Substituents
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stategas
Physical DescriptionNot Available
Mass CompositionNot Available
Melting Point-93.4 oC
Boiling PointNot Available
Experimental Water Solubility1080 mg/mL at 25 oCSCHWEIZER,AE et al. (1978)
Experimental logP-0.57HANSCH,C ET AL. (1995)
Experimental pKa10.6
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9000000000-50fb665f1ba89a03baf9View in MoNA
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)splash10-001i-9000000000-93f5049fa2e67d0da26dView in MoNA
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)splash10-001i-9000000000-53c64a174764bada8913View in MoNA
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)splash10-001i-9000000000-1c10568342e547416eafView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-2910620cfb01718df17fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-2910620cfb01718df17fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-2910620cfb01718df17fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-f140127f4f4b677d2975View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-f140127f4f4b677d2975View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-f140127f4f4b677d2975View in MoNA
MSMass Spectrum (Electron Ionization)splash10-001i-9000000000-43b9d7b881c659f2ceb1View in MoNA
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
2D NMR[1H,13C] 2D NMR SpectrumNot AvailableView in JSpectraViewer
ChemSpider ID6089
ChEMBL IDCHEMBL43280
KEGG Compound IDC00218
Pubchem Compound ID6329
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDDB01828
HMDB IDHMDB60291
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDMETHYL-AMINE
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDMethylamine
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
irritantDUKE
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).