Methylcyclohexylamine
Properties
- Molecular formula
- C7H15N
- Molar mass
- 113.20 g/mol
- Exact mass
- 113.1204 Da
- Density
- 0.8518 g/mL (at 20 °C)
- Boiling point
- 147 °C
- logP
- 1.54Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H226 Flammable liquid and vapor99.5% of notifiers
- H290 May be corrosive to metals79.4% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H311 Toxic in contact with skin65.6% of notifiers
- H312 Harmful in contact with skin18.8% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage78.9% of notifiers
- H331 Toxic if inhaled17.9% of notifiers
- H412 Harmful to aquatic life with long lasting effects78.4% of notifiers
Aggregated from 218 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
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, P501
Identifiers
CAS number
100-60-7SMILES
CNC1CCCCC1InChIKey
XTUVJUMINZSXGF-UHFFFAOYSA-NInChI
InChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- Cyclohexanamine, N-methyl-
- Cyclohexylamine, N-methyl-
- N-Methylcyclohexanamine
- N-Methylcyclohexylamine
- Cyclohexylmethylamine
- N-Methyl-N-cyclohexylamine
- N-Cyclohexylmethylamine
- N-Cyclohexyl-N-methylamine
- (Methylamino)cyclohexane
- NSC 434
- SC 79B
Work with Methylcyclohexylamine
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
N-Methyl-4-piperidinamine45584-07-455 % similar
1-N,2-N-Dimethylcyclohexane-1,2-diamine61798-24-153 % similar
trans-N,N′-Dimethyl-1,2-cyclohexanediamine67579-81-153 % similar
(1R,2R)-N,N'-Dimethyl-1,2-cyclohexanediamine68737-65-553 % similar
(1S,2S)-N,N'-Dimethyl-1,2-cyclohexanediamine87583-89-953 % similar
Dicyclohexylamine101-83-750 % similar
trans-4-(Methylamino)cyclohexanol22348-44-350 % similar
N-Methylpiperidin-4-amine dihydrochloride1220039-56-448 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds