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Product No: AW9412

N-Methylcyclohexanamine, 98%

Name: N-Methylcyclohexanamine
Brand: Chempure

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CAS Number

100-60-7

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IUPAC name	N-methylcyclohexanamine
canonical smiles	CNC1CCCCC1
inchi	InChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3
inchi key	XTUVJUMINZSXGF-UHFFFAOYSA-N
molecular formula	C7H15N
synonyms	N-METHYLCYCLOHEXYLAMINE N-Methylcyclohexanamine 100-60-7 Cyclohexanamine, N-methyl- Methylcyclohexylamine
Compound Description	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. N-methylcyclohexylamine is a secondary aliphatic amine having methyl and cyclohexyl as the two alkyl groups. It has a role as a human xenobiotic metabolite.

Computed Properties

Molecular Weight:	113.20 g/mol
XLogP3:	1.6
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	1
Exact Mass:	113.120449483 g/mol
Monoisotopic Mass:	113.120449483 g/mol
Topological Polar Surface Area:	12 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	55.4
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Phenol

Dalfampridine

Indole

Aniline

2,4-Dimethylphenol

Cyclohexylamine

Phenylhydrazine

Benzylamine

N-Methylaniline

Mecamylamine

m-Phenylenediamine

3,5-Dimethylphenol

3,4-Diaminotoluene

2-Aminopyridine

p-Toluidine

hazard signal	Danger
hazard classes and categories	Flam. Liq. 3 (99.5%) Met. Corr. 1 (77.5%) Acute Tox. 4 (100%) Acute Tox. 3 (62.5%) Acute Tox. 4 (20.5%) Skin Corr. 1A (100%) Eye Dam. 1 (77%) Acute Tox. 3 (19.5%) Aquatic Chronic 3 (76.5%)
precautionary statement codes	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
hazard statements	H226 (99.5%): Flammable liquid and vapor [Warning Flammable liquids] H290 (77.5%): May be corrosive to metals [Warning Corrosive to Metals] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (62.5%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (20.5%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (77%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H331 (19.5%): Toxic if inhaled [Danger Acute toxicity, inhalation] H412 (76.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

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Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	N-methylcyclohexanamine
canonical smiles	CNC1CCCCC1
inchi	InChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3
inchi key	XTUVJUMINZSXGF-UHFFFAOYSA-N
molecular formula	C7H15N
synonyms	N-METHYLCYCLOHEXYLAMINE N-Methylcyclohexanamine 100-60-7 Cyclohexanamine, N-methyl- Methylcyclohexylamine
Compound Description	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. N-methylcyclohexylamine is a secondary aliphatic amine having methyl and cyclohexyl as the two alkyl groups. It has a role as a human xenobiotic metabolite.

Computed Properties

Molecular Weight:	113.20 g/mol
XLogP3:	1.6
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	1
Exact Mass:	113.120449483 g/mol
Monoisotopic Mass:	113.120449483 g/mol
Topological Polar Surface Area:	12 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	55.4
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Phenol

Dalfampridine

Indole

Aniline

2,4-Dimethylphenol

Cyclohexylamine

Phenylhydrazine

Benzylamine

N-Methylaniline

Mecamylamine

m-Phenylenediamine

3,5-Dimethylphenol

3,4-Diaminotoluene

2-Aminopyridine

p-Toluidine

hazard signal	Danger
hazard classes and categories	Flam. Liq. 3 (99.5%) Met. Corr. 1 (77.5%) Acute Tox. 4 (100%) Acute Tox. 3 (62.5%) Acute Tox. 4 (20.5%) Skin Corr. 1A (100%) Eye Dam. 1 (77%) Acute Tox. 3 (19.5%) Aquatic Chronic 3 (76.5%)
precautionary statement codes	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
hazard statements	H226 (99.5%): Flammable liquid and vapor [Warning Flammable liquids] H290 (77.5%): May be corrosive to metals [Warning Corrosive to Metals] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (62.5%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (20.5%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (77%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H331 (19.5%): Toxic if inhaled [Danger Acute toxicity, inhalation] H412 (76.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Product No: AW9412

N-Methylcyclohexanamine, 98%

Product No: AW9412

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AW9412

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?