5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine

C₁₀H₁₈N₂OSCAS 66356-53-4214.33 g/mol

Open in Covalent MOL file

Primary amine Sulfide Tertiary amine

Properties

Molecular formula: C₁₀H₁₈N₂OS
Molar mass: 214.33 g/mol
Exact mass: 214.1140 Da
Boiling point: 130–137 °C
logP: 1.53Crippen estimate
Polar surface area: 42.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 6

Hazards

Danger

H317 May cause an allergic skin reaction95.2% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled95.2% of notifiers
H335 May cause respiratory irritation90.5% of notifiers

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

Precautionary statements

P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P319, P321, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

66356-53-4

SMILES

CN(C)Cc1ccc(CSCCN)o1

InChIKey

JFGCGQJHMUYGLU-UHFFFAOYSA-N

InChI

InChI=1S/C10H18N2OS/c1-12(2)7-9-3-4-10(13-9)8-14-6-5-11/h3-4H,5-8,11H2,1-2H3

Weigh it out

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

Names and synonyms

4 names

5-[[(2-Aminoethyl)thio]methyl]-N,N-dimethyl-2-furanmethanamine
2-Furanmethanamine, 5-[[(2-aminoethyl)thio]methyl]-N,N-dimethyl-
2-[[5-[(Dimethylamino)methyl]-2-furyl]methylsulfanyl]ethanamine
2-[[5-[(Dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethanamine

Work with 5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

((2-(Hydroxymethyl)-5-furyl)methyl)ammonium chloride81074-81-945 % similar Ranitidine66357-35-545 % similar Ranitidine hydrochloride66357-59-343 % similar 1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N′-methyl-2-nitro-, hydrochloride (1:?)71130-06-843 % similar 2-[[(2-Chloro-6-fluorophenyl)methyl]thio]ethanamine175136-76-232 % similar 2,2′-Thiobis[ethanamine]871-76-131 % similar 2-(Ethylthio)ethylamine36489-03-931 % similar 4-Amino-N,N-dimethylbenzenemethanamine6406-74-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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