(3S)-3-Methylmorpholine hydrochloride

C5H12ClNOCAS 1022094-03-6137.61 g/mol

Open in Covalent MOL file
OHNHCl
EtherSecondary amine

Properties

Molecular formula
C5H12ClNO
Molar mass
137.61 g/mol
Exact mass
137.0607 Da
Melting point
above 200 °C
logP
0.42Crippen estimate
Polar surface area
21.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1022094-03-6
SMILES
C[C@H]1COCCN1.Cl
InChIKey
MSOCQCWIEBVSLF-JEDNCBNOSA-N
InChI
InChI=1S/C5H11NO.ClH/c1-5-4-7-3-2-6-5;/h5-6H,2-4H2,1H3;1H/t5-;/m0./s1

Weigh it out

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

Names and synonyms

4 names
  • Morpholine, 3-methyl-, hydrochloride (1:1), (3S)-
  • (S)-3-Methylmorpholine hydrochloride
  • (3S)-Methylmorpholine hydrochloride
  • (S)-3-Methylmorpholine HCL

Work with (3S)-3-Methylmorpholine hydrochloride

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-Methylmorpholine74572-04-6Free base, enantiomer (3S)-3-Methylmorpholine350595-57-2Free base (R)-3-Methylmorpholine hydrochloride953780-78-4Enantiomer

Similar compounds

Morpholin-3-ylmethanol hydrochloride955400-09-648 % similar (2R)-(-)-2-Methylpyrrolidine hydrochloride135324-85-546 % similar (S)-2-Methylpyrrolidine hydrochloride174500-74-446 % similar 2-Methylpyrrolidine hydrochloride54677-53-146 % similar Morpholinium chloride10024-89-238 % similar 2-Methylpiperidin-4-one hydrochloride13729-77-638 % similar N-Methyltetrahydrofuran-3-amine hydrochloride917882-94-138 % similar (2R)-2-Methylpyrrolidine41720-98-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2S)-2-Methylmorpholine hydrochloride1147108-99-3 (1R,3S)-3-Aminocyclopentanol hydrochloride1279032-31-3 (1R,2S)-2-Aminocyclopentanol hydrochloride137254-03-6 1,4-Oxazepane hydrochloride178312-62-4 (Tetrahydrofuran-3-yl)methanamine hydrochloride184950-35-4 (R)-3-Hydroxypiperidine hydrocloride198976-43-1 cis-(1S,2R)-2-Aminocyclopentanol hydrochloride225791-13-9 Dimethylamine-epichlorohydrin copolymer25988-97-0

Elsewhere

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