N-Methylcyclohexylamine
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Basic information
- CAS
100-60-7- Standard SMILES
CNC1CCCCC1- InChIKey
XTUVJUMINZSXGF-UHFFFAOYSA-N- Molecular formula
- C7H15N
- Average molar mass
- 113.2 g/mol
- Monoisotopic mass
- 113.12044948
Overview
Methyl cyclohexylamine appears as a water-white liquid. Slightly soluble in water and floats on water. A strong irritant to skin and eyes. Corrosive. Used as a solvent.
Names & identifiers
- Preferred name
- N-Methylcyclohexylamine
- IUPAC
- N-methylcyclohexanamine
- English name
- N-Methylcyclohexylamine
- Molecular formula
- C7H15N
- Molecular weight
- 113.2
Names & synonyms
N-METHYLCYCLOHEXYLAMINEN-Methylcyclohexanamine100-60-7MethylcyclohexylamineCyclohexanamine, N-methyl-CyclohexylmethylamineCyclohexyl(methyl)amineNSC 434UNII-YH8PF4C1OWYH8PF4C1OWEINECS 202-869-3BRN 1523664
Show more names
1-MethylcyclohexylamineAKOS BBS-00004304TIMTEC-BB SBB004314N-METHYCYCLOHEXYLAMINEMETHYLAMINOCYCLOHEXANEBromhexine Impurity 35N-CYCLOHEXYLMETHYLAMINE
N-MetyhcyclohexylamineAI3-16733NSC-434DTXSID3059216CHEBI:590184-12-00-00017 (Beilstein Handbook Reference)methyl cyclohexylamineRefChem:163815
Database identifiers
- CAS
100-60-7- PubChem CID
- 7514
- DTXSID
DTXSID3059216- ChEBI
CHEBI:59018- UNII
- YH8PF4C1OW
- EC Number
- 202-869-3
- Nikkaji
- J23.469I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 55.4
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionMethyl cyclohexylamine appears as a water-white liquid. Slightly soluble in water and floats on water. A strong irritant to skin and eyes. Corrosive. Used as a solvent.
Physicochemical properties
- Melting point
- 9 · −9-−7 °C (lit.)
- Boiling point
- 148 °C · 148 °C
- Density
- 0.86 · 0.86
- vapor density
- 4 · 4 (vs air)
- vapor pressure
- 11 mm · 11 mm Hg ( 40 °C)
- refractive index
- 1.46 · 1.46
- Flash point
- 29 °C · 29 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 54 g/l · 54g/l
- pka
- 11.03 · 11.03±0.20(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (99.5%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 218 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Cyclohexanamine, N-methyl-
Status: Active Update: 13-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17035
Cyclohexyl(methyl)amine: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelFlammable Liquid Corrosive
Fire HazardsExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Health HazardsExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity AlertsHighly Flammable
Reactivity Profile
METHYL CYCLOHEXYLAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanamine, N-methyl-: ACTIVE
Applications
UsesIntermediate, solvent, acid acceptor.
UsesN-Methylcyclohexanamine is a chemical reagent used in the synthesis of Mps1 kinase inhibitors used in cancer research. Also used in the synthesis of antituberculosis agents as indole-2-carboxamides.
UsesN-Methylcyclohexylamine is used as a component of vulcanization accelerators, but the market size is relatively small.
General DescriptionA water-white liquid. Slightly soluble in water and floats on water. A strong irritant to skin and eyes. Corrosive. Used as a solvent.
Preparation methods
PreparationN-Methylcyclohexylamine can be prepared by a procedure similar to that used for cyclohexylamine, i.e., by hydrogenation of methylaniline over a supported nickel catalyst or from cyclohexanone and methylamine under hydrogenation conditions. Cyclohexylamine reacts with methanol over copper, zinc, or copper – calcium catalysts.
Upstream & downstream products
Upstream raw materials
Related reactions
218 records
Compound notes
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