2,6-Dimethylmorpholine

C₆H₁₃NOCAS 141-91-3115.18 g/mol

Open in Covalent MOL file

Ether Secondary amine

Properties

Molecular formula: C₆H₁₃NO
Molar mass: 115.18 g/mol
Exact mass: 115.0997 Da
Density: 0.9346 g/mL (at 20 °C)
Melting point: −88 °C
Boiling point: 146.6 °C
Flash point: 44.4 °C
Water solubility: ≥ 100 mg/L (18.9 °C)
logP: 0.38Crippen estimate
Polar surface area: 21.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed53.1% of notifiers
H311 Toxic in contact with skin19.2% of notifiers
H312 Harmful in contact with skin80.8% of notifiers
H314 Causes severe skin burns and eye damage54% of notifiers
H318 Causes serious eye damage99.5% of notifiers

Aggregated from 213 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, 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, P403+P235, P405, P501

Identifiers

CAS number

141-91-3

SMILES

CC1CNCC(C)O1

InChIKey

HNVIQLPOGUDBSU-UHFFFAOYSA-N

InChI

InChI=1S/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

2 names

Morpholine, 2,6-dimethyl-
NSC 60704

Work with 2,6-Dimethylmorpholine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

cis-2,6-Dimethylmorpholine6485-55-8Defined stereoisomer 2,6-Dimethylmorpholine, (2R,6R)-171753-74-5Defined stereoisomer

Similar compounds

(2S)-2-Methylmorpholine hydrochloride1147108-99-348 % similar Bis(2-chloro-1-methylethyl) ether108-60-143 % similar Diisobutylamine110-96-342 % similar (+)-Propylene oxide15448-47-242 % similar (2S)-2-Methyloxirane16088-62-342 % similar Propylene oxide75-56-942 % similar 2,6-Dimethylpiperazine108-49-638 % similar Rel-(2R,6S)-2,6-Dimethylpiperazine21655-48-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethylmorpholine100-74-3 [1-Aminocyclopentyl]methanol10316-79-7 4-Hydroxy-1-methylpiperidine106-52-5 4-Aminomethyltetrahydropyran130290-79-8 1-Propylazetidin-3-ol1340301-52-1 (3S)-Piperidin-3-ylmethanol144539-77-5 Pinacolone oxime2475-93-6

Elsewhere

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