(3S)-3-Methylmorpholine

C₅H₁₁NOCAS 350595-57-2101.15 g/mol

Open in Covalent MOL file

Ether Secondary amine

Properties

Molecular formula: C₅H₁₁NO
Molar mass: 101.15 g/mol
Exact mass: 101.0841 Da
logP: -0.01Crippen estimate
Polar surface area: 21.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed95.2% of notifiers
H314 Causes severe skin burns and eye damage97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number

350595-57-2

SMILES

C[C@H]1COCCN1

InChIKey

SFWWGMKXCYLZEG-YFKPBYRVSA-N

InChI

InChI=1S/C5H11NO/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3/t5-/m0/s1

Weigh it out

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

Names and synonyms

1 names

3S-3-Methylmorpholine

Work with (3S)-3-Methylmorpholine

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 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.

(R)-3-Methylmorpholine74572-04-6Enantiomer (3S)-3-Methylmorpholine hydrochloride1022094-03-6Salt (R)-3-Methylmorpholine hydrochloride953780-78-4Salt, enantiomer

Similar compounds

(2R)-2-Methylpyrrolidine41720-98-340 % similar (2S)-2-Methylpyrrolidine59335-84-140 % similar 2-Methylpyrrolidine765-38-840 % similar Morpholin-3-ylmethanol hydrochloride955400-09-639 % similar 2-Methylpiperidine109-05-738 % similar 2-Methylpiperazine109-07-938 % similar (S)-(+)-2-Methylpiperidine3197-42-038 % similar (S)-(+)-2-Methylpiperazine74879-18-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-(+)-1-Methyl-3-pyrrolidinol104641-59-0 (3R)-1-Methyl-3-pyrrolidinol104641-60-3 (3R)-Tetrahydro-3-furanmethanamine1048962-82-8 (3S)-Tetrahydro-3-furanmethanamine1048962-84-0 N-Methylmorpholine109-02-4 D-Beta-Prolinol110013-18-8 (3S)-3-Pyrrolidinemethanol110013-19-9 Oxan-3-amine120811-32-7

Elsewhere

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