(1R,2S)-2-Fluorocyclopropylamine p-toluenesulfonate

C₁₀H₁₄FNO₃SCAS 143062-84-4247.28 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine Sulfonic acid

Properties

Molecular formula: C₁₀H₁₄FNO₃S
Molar mass: 247.28 g/mol
Exact mass: 247.0678 Da
logP: 1.30Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1
Stereocentres: R, 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

143062-84-4

SMILES

Cc1ccc(S(=O)(=O)O)cc1.N[C@@H]1C[C@@H]1F

InChIKey

XUWZMHVPMZXIRU-LMLSDSMGSA-N

InChI

InChI=1S/C7H8O3S.C3H6FN/c1-6-2-4-7(5-3-6)11(8,9)10;4-2-1-3(2)5/h2-5H,1H3,(H,8,9,10);2-3H,1,5H2/t;2-,3+/m.0/s1

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

Names and synonyms

5 names

Cyclopropanamine, 2-fluoro-, (1R,2S)-, 4-methylbenzenesulfonate (1:1)
Cyclopropanamine, 2-fluoro-, (1R,2S)-, 4-methylbenzenesulfonate
(1R,2S)-2-Fluorocyclopropylamine tosylate
(1R,2S)-2-Fluorocyclopropanamine 4-methylbenzenesulfonate
((1R,2S)-2-Fluorocyclopropyl)amine 4-methylbenzenesulfonate

Work with (1R,2S)-2-Fluorocyclopropylamine p-toluenesulfonate

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.

p-Toluenesulfonic acid monohydrate6192-52-5Hydrate p-Toluenesulfonic acid104-15-4Free acid Sodium p-toluenesulfonate657-84-1Salt Pyridinium p-toluenesulfonate24057-28-1Salt Collidinium P-toluenesulfonate59229-09-3Salt Ferric p-toluenesulfonate77214-82-5Salt Trump IR134127-48-3Salt O-Benzylglycine toluene-p-sulphonate1738-76-7Salt L-Alanine benzyl ester tosylate42854-62-6Salt Valine benzyl ester 4-toluenesulfonate16652-76-9Salt 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate2491-17-0Salt 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate4641-47-8Salt

Similar compounds

4-Ethylbenzenesulfonic acid98-69-140 % similar Sulfanilic acid121-57-340 % similar 4-Fluorobenzenesulfonic acid368-88-740 % similar (1,1'-Biphenyl)-4,4'-disulfonic acid5314-37-439 % similar 2-[(4-Methylphenyl)sulfonyl]ethanol22381-54-039 % similar 2,5-Dimethylbenzenesulfonic acid609-54-139 % similar 4-Hydrazinobenzenesulfonic acid98-71-538 % similar 4-Hydroxybenzenesulfonic acid98-67-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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