(2S)-Morpholin-2-ylmethanol hydrochloride

C₅H₁₂ClNO₂CAS 1313584-92-7153.61 g/mol

Open in Covalent MOL file

Alcohol Ether Secondary amine

Properties

Molecular formula: C₅H₁₂ClNO₂
Molar mass: 153.61 g/mol
Exact mass: 153.0557 Da
logP: -0.61Crippen estimate
Polar surface area: 41.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1313584-92-7

SMILES

C1CO[C@@H](CN1)CO.Cl

InChIKey

NBGXGDBTUJNTKJ-JEDNCBNOSA-N

InChI

InChI=1S/C5H11NO2.ClH/c7-4-5-3-6-1-2-8-5;/h5-7H,1-4H2;1H/t5-;/m0./s1

Weigh it out

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

Names and synonyms

1 names

2-Morpholinemethanol, hydrochloride, (2S)-

Work with (2S)-Morpholin-2-ylmethanol 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)-2-Hydroxymethylmorpholine156925-22-3Free base, enantiomer 2-(Hydroxymethyl)morpholine hydrochloride144053-98-5Stereo not defined

Similar compounds

Morpholin-2-yl-methylamine116143-27-250 % similar (2S)-2-Methylmorpholine hydrochloride1147108-99-348 % similar 2-Hydroxymethyloxetane61266-70-448 % similar (Azetidin-3-yl)methanol hydrochloride928038-44-246 % similar (R)-(-)-Tetrahydrofurfuryl alcohol22415-59-445 % similar Tetrahydrofurfuryl alcohol97-99-445 % similar (3R)-3-Methoxypyrrolidine hydrochloride474707-30-744 % similar (S)-3-Methoxy-pyrrolidine hydrochloride685828-16-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-Alanine ethyl ester hydrochloride1115-59-9 Methyl 4-aminobutyrate hydrochloride13031-60-2 Propan-2-yl 2-aminoacetate hydrochloride14019-62-6 3-Dimethylaminopropionic acid hydrochloride14788-12-6 α-Aminoisobutyric acid methyl ester hydrochloride15028-41-8 (2S)-1,4-Dioxane-2-methanamine hydrochloride1523541-96-9 4-Piperidone hydrochloride hydrate320589-77-3

Elsewhere

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