((2-(Hydroxymethyl)-5-furyl)methyl)ammonium chloride

C₈H₁₄ClNO₂CAS 81074-81-9191.66 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₈H₁₄ClNO₂
Molar mass: 191.66 g/mol
Exact mass: 191.0713 Da
Melting point: 120–121 °C
logP: 1.26Crippen estimate
Polar surface area: 36.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

81074-81-9

SMILES

CN(C)Cc1ccc(CO)o1.Cl

InChIKey

UDLQUVLALYCAMJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H13NO2.ClH/c1-9(2)5-7-3-4-8(6-10)11-7;/h3-4,10H,5-6H2,1-2H3;1H

Weigh it out

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

Names and synonyms

5 names

2-Furanmethanol, 5-[(dimethylamino)methyl]-, hydrochloride (1:1)
2-Furanmethanol, 5-[(dimethylamino)methyl]-, hydrochloride
5-(Dimethylaminomethyl)-2-furanmethanol hydrochloride
5-(Dimethylaminomethyl)furfuryl alcohol hydrochloride
[5-[(Dimethylamino)methyl]furan-2-yl]methanol hydrochloride

Work with ((2-(Hydroxymethyl)-5-furyl)methyl)ammonium chloride

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

2,5-Bis(hydroxymethyl)furan1883-75-656 % similar 5-Methyl-2-furanmethanol3857-25-845 % similar 5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine66356-53-445 % similar Hydroxymethylfurfural67-47-038 % similar 2-(Dimethylaminomethyl)-4-thiazolemethanol78441-69-738 % similar Ranitidine hydrochloride66357-59-336 % similar 1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N′-methyl-2-nitro-, hydrochloride (1:?)71130-06-836 % similar 5-(Hydroxymethyl)-2-furancarboxylic acid6338-41-636 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Scopine hydrochloride85700-55-6

Elsewhere

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