2-(Thiomorpholin-4-yl)ethan-1-amine

C₆H₁₄N₂SCAS 53515-36-9146.25 g/mol

Open in Covalent MOL file

Primary amine Sulfide Tertiary amine

Properties

Molecular formula: C₆H₁₄N₂S
Molar mass: 146.25 g/mol
Exact mass: 146.0878 Da
logP: -0.01Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin75% of notifiers
H314 Causes severe skin burns and eye damage75% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H332 Harmful if inhaled75% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

53515-36-9

SMILES

C1CSCCN1CCN

InChIKey

ZMBVBAVBXVSHER-UHFFFAOYSA-N

InChI

InChI=1S/C6H14N2S/c7-1-2-8-3-5-9-6-4-8/h1-7H2

Weigh it out

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

Names and synonyms

1 names

4-(2-Aminoethyl)thiomorpholine

Work with 2-(Thiomorpholin-4-yl)ethan-1-amine

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

Tris(2-aminoethyl)amine4097-89-665 % similar 1,4-Piperazinediethanamine6531-38-061 % similar 1-Pyrrolidineethanamine7154-73-655 % similar 1-Piperidineethanamine27578-60-552 % similar Aminoethylpiperazine140-31-848 % similar 4-Morpholineethanamine2038-03-148 % similar 2-(Thiomorpholin-4-yl)ethan-1-ol6007-64-348 % similar 2,2′-Thiobis[ethanamine]871-76-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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