chempirical

6-Aminothymol hydrochloride

C10H16ClNOCAS 6321-11-5201.69 g/mol

Open in Covalent MOL file
H2NOHHCl
PhenolPrimary amine

Properties

Molecular formula
C10H16ClNO
Molar mass
201.69 g/mol
Exact mass
201.0920 Da
logP
2.83Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
6321-11-5
SMILES
CC1=CC(=C(C=C1N)C(C)C)O.Cl
InChIKey
BBJYJPIOFSRDGI-UHFFFAOYSA-N
InChI
InChI=1S/C10H15NO.ClH/c1-6(2)8-5-9(11)7(3)4-10(8)12;/h4-6,12H,11H2,1-3H3;1H

Weigh it out

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

Work with 6-Aminothymol hydrochloride

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

4-Amino-2,5-dimethylphenol3096-71-755 % similar Chlorothymol89-68-954 % similar 2-Amino-p-cymene2051-53-842 % similar Thymol89-83-842 % similar 2,5-Dimethyl-p-phenylenediamine6393-01-742 % similar 4,6-Diaminoresorcinol dihydrochloride16523-31-241 % similar 2,4,5-Trimethylaniline137-17-741 % similar 3,3′-Dimethylbenzidine dihydrochloride612-82-841 % similar

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

Same formula

Edrophonium chloride116-38-1 Dl-Ephedrine hydrochloride134-71-4 (1S,2R)-(+)-2-(Methylamino)-1-phenylpropan-1-ol hydrochloride24221-86-1 Pseudoephedrine hydrochloride345-78-8 (-)-Ephedrine hydrochloride50-98-6 Hordenine hydrochloride6027-23-2

Elsewhere

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