Basic information
- 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 properties
- 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
- 149 °C · 149 °C (lit.)
- Density
- 0.868 g/mL · 0.868 g/mL at 25 °C (lit.)
- vapor density
- 4 · 4 (vs air)
- vapor pressure
- 11 mm · 11 mm Hg ( 40 °C)
- refractive index
- 20 · n20/D 1.456(lit.)
- Flash point
- 85 °F · 85 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 54 g/l · 54g/l
- form
- Liquid
- pka
- 11.03 · 11.03±0.20(Predicted)
- Specific Gravity
- 0.855 · 0.855 (20/4℃)
- color
- Clear colorless to yellow
- PH
- 12 · 12 (10g/l, H2O, 20℃)
- explosive limit
- 2.2 · 2.2-10.5%(V)
- Water Solubility
- 5.4 g/100 · 5.4 g/100 mL (20 ºC)
- Sensitive
- Air Sensitive
- BRN
- 1523664 · 1523664
- Dielectric constant
- 3.64 · 3.6400000000000001
- InChI
- 1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3
- InChIKey
- XTUVJUMINZSXGF-UHFFFAOYSA-N
- SMILES
- CNC1CCCCC1
- CAS DataBase Reference
- 100 · 100-60-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 PF4C1OW · YH8PF4C1OW
- NIST Chemistry Reference
- Cyclohexanamine, N-methyl-(100-60-7)
- EPA Substance Registry System
- Cyclohexanamine, N-methyl- (100-60-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 226 · H226-H290-H302-H311-H314-H412
- Precautionary statements
- 210 · P210-P273-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338+P310
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 10 · 10-21/22-35-20/21/22
- Safety Statements
- 16 · 16-26-36/37/39-45
- RIDADR
- 2734 · UN 2734 8/PG 2
- WGK Germany
- 1 · 1
- RTECS
- 1529000 · GX1529000
- Hazard Note
- Corrosive
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29213099 · 29213099
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 3Met. Corr. 1Skin Corr. 1A
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
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.
Air and Water ReactionsFlammable. Slightly soluble in water.
Hazard Classes and CategoriesFlam. Liq. 3 (99.5%)
Safety & protection
Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
First AidExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Isolation and EvacuationExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Toxicology
EPA Provisional Peer-Reviewed Toxicity Values
n-Methylcyclohexylamine
PDF Document
2011
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- GX1529000
- ridadr
- UN 2734 8/PG 2
- hs_code
- 29213099
- risk_code
- 10-21/22-35-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS06
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 16-26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H226-H290-H302-H311-H314-H412
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 3Met. Corr. 1Skin Corr. 1A
- Precautionary statements
- P210-P273-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338+P310
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
Downstream products
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Additional notes
DefinitionChEBI: A secondary aliphatic amine having methyl and cyclohexyl as the two alkyl groups.
Related reactions
218 records
Linked notes
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