(S)-2-(Aminomethyl)-1,4-dioxane Hydrochloride

C₅H₁₂ClNO₂CAS 1523541-96-9153.61 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₅H₁₂ClNO₂
Molar mass: 153.61 g/mol
Exact mass: 153.0557 Da
logP: -0.22Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

1523541-96-9

SMILES

Cl.NC[C@H]1COCCO1

InChIKey

LPQNAKGJOGYMDZ-JEDNCBNOSA-N

InChI

InChI=1S/C5H11NO2.ClH/c6-3-5-4-7-1-2-8-5;/h5H,1-4,6H2;1H/t5-;/m0./s1

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

Names and synonyms

1 names

1,4-Dioxane-2-methanamine, hydrochloride (1:1), (2S)-

Work with (S)-2-(Aminomethyl)-1,4-dioxane 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

Similar compounds

(2S)-1,4-Dioxane-2-methanol406913-93-746 % similar Hydroxymethyl-18-crown-670069-04-445 % similar 2-Hydroxymethyl-15-crown-575507-25-445 % similar 1,4,7,10-Tetraoxacyclododecane-2-methanol75507-26-545 % similar Glycol diglycidyl ether2224-15-944 % similar Tetrahydrofurfurylamine4795-29-343 % similar (R)-(-)-Tetrahydrofurfurylamine7202-43-943 % similar Morpholin-2-yl-methylamine116143-27-239 % 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 (2S)-Morpholin-2-ylmethanol hydrochloride1313584-92-7 Propan-2-yl 2-aminoacetate hydrochloride14019-62-6 2-(Hydroxymethyl)morpholine hydrochloride144053-98-5 α-Aminoisobutyric acid methyl ester hydrochloride15028-41-8 4,4-Dihydroxypiperidine hydrochloride40064-34-4 3-Aminopropionic acid ethyl ester hydrochloride4244-84-2

Elsewhere

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