(S)-2-Amino-5-methoxytetralin hydrochloride

C₁₁H₁₆ClNOCAS 58349-17-0213.70 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₁H₁₆ClNO
Molar mass: 213.70 g/mol
Exact mass: 213.0920 Da
Melting point: 262–265 °C
logP: 1.93Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H370 Causes damage to organs100% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P272, P273, P280, P301+P316, P302+P352, P308+P316, P321, P330, P333+P317, P362+P364, P405, P501

Identifiers

CAS number

58349-17-0

SMILES

COc1cccc2c1CC[C@H](N)C2.Cl

InChIKey

CGLCAQWQPIFKRX-FVGYRXGTSA-N

InChI

InChI=1S/C11H15NO.ClH/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11;/h2-4,9H,5-7,12H2,1H3;1H/t9-;/m0./s1

Weigh it out

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

Names and synonyms

3 names

2-Naphthalenamine, 1,2,3,4-tetrahydro-5-methoxy-, hydrochloride (1:1), (2S)-
2-Naphthalenamine, 1,2,3,4-tetrahydro-5-methoxy-, hydrochloride, (S)-
2-Naphthalenamine, 1,2,3,4-tetrahydro-5-methoxy-, hydrochloride, (2S)-

Work with (S)-2-Amino-5-methoxytetralin 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

2-Amino-7-methoxytetralin4003-89-847 % similar (S)-1,2,3,4-Tetrahydro-2-naphthylamine21880-87-546 % similar 2-Aminotetralin2954-50-946 % similar 2-Aminoindan hydrochloride2338-18-345 % similar 3,4-Dihydro-5-methoxy-2(1H)-naphthalenone32940-15-143 % similar 8-Methoxy-2-tetralone5309-19-343 % similar 2,6-Dimethoxybenzylamine20781-22-043 % similar o-Methoxy-N,α-dimethylphenethylamine hydrochloride5588-10-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Clorprenaline3811-25-4 β-Dimethylaminopropiophenone hydrochloride879-72-1

Elsewhere

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