(Dihydro-3,3-diphenyl-3H-furan-2-ylidene)dimethylammonium bromide

C₁₈H₂₀BrNOCAS 37743-18-3346.27 g/mol

Open in Covalent MOL file

Amide

Properties

Molecular formula: C₁₈H₂₀BrNO
Molar mass: 346.27 g/mol
Exact mass: 345.0728 Da
logP: 0.00Crippen estimate
Polar surface area: 14.5 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction42.9% of notifiers
H318 Causes serious eye damage42.9% of notifiers
H341 Suspected of causing genetic defects57.1% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure14.3% of notifiers
H411 Toxic to aquatic life with long lasting effects42.9% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P319, P321, P330, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

37743-18-3

SMILES

CN(C)C1=[O+]CCC1(c1ccccc1)c1ccccc1.[Br-]

InChIKey

QJPXLCQSAFQCBD-UHFFFAOYSA-M

InChI

InChI=1S/C18H20NO.BrH/c1-19(2)17-18(13-14-20-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

6 names

Dimethyl(tetrahydro-3,3-diphenyl-2-furylidene)ammonium bromide
Methanaminium, N-(dihydro-3,3-diphenyl-2(3H)-furanylidene)-N-methyl-, bromide (1:1)
Methanaminium, N-(dihydro-3,3-diphenyl-2(3H)-furanylidene)-N-methyl-, bromide
Dihydro-N,N-dimethyl-3,3-diphenyl-2(3H)-furaniminium bromide
3,3-Diphenyltetrahydrofuran-2-ylidene(dimethyl)ammonium bromide
3,3-Diphenyltetrahydrofuran-2-ylidene(dimethyl)ammoniumbromide

Work with (Dihydro-3,3-diphenyl-3H-furan-2-ylidene)dimethylammonium bromide

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

α-(2-Bromoethyl)-α-phenylbenzeneacetic acid37742-98-633 % similar Loperamide53179-11-633 % similar Dihydro-3,3-diphenyl-2(3H)-furanone956-89-832 % similar Aminopentamide60-46-831 % similar Loperamide hydrochloride34552-83-531 % similar 1-Phenylcyclopropanecarboxylic acid6120-95-231 % similar 1,1-Diphenylcyclopropane3282-18-631 % similar Diphenamid957-51-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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