7-Hydroxy-1,2,3,4-tetrahydroquinoline

C₉H₁₁NOCAS 58196-33-1149.19 g/mol

Open in Covalent MOL file

Phenol Secondary amine

Properties

Molecular formula: C₉H₁₁NO
Molar mass: 149.19 g/mol
Exact mass: 149.0841 Da
Melting point: 70–80 °C
logP: 1.75Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled20% of notifiers
H302 Harmful if swallowed80% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation60% of notifiers
H319 Causes serious eye irritation60% of notifiers
H332 Harmful if inhaled60% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

58196-33-1

SMILES

Oc1ccc2c(c1)NCCC2

InChIKey

HJJRGZMJZDSMDB-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO/c11-8-4-3-7-2-1-5-10-9(7)6-8/h3-4,6,10-11H,1-2,5H2

Weigh it out

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

Names and synonyms

3 names

7-Quinolinol, 1,2,3,4-tetrahydro-
1,2,3,4-Tetrahydro-7-quinolinol
1,2,3,4-Tetrahydro-7-hydroxyquinoline

Work with 7-Hydroxy-1,2,3,4-tetrahydroquinoline

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

1,2,3,4-Tetrahydroquinolin-6-ol3373-00-072 % similar 7-Bromo-1,2,3,4-tetrahydroquinoline114744-51-361 % similar 1,2,3,4-Tetrahydroquinolin-7-amine153856-89-456 % similar 5,6,7,8-Tetrahydro-2-naphthol1125-78-655 % similar 5-Indanol1470-94-655 % similar 7-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline450-62-451 % similar Tetrahydroquinoline635-46-150 % similar Hydroxybenzomorpholine26021-57-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

para-Dimethylaminobenzaldehyde100-10-7 4-Methylacetanilide103-89-9 1-(3-Aminophenyl)-1-propanone1197-05-3 N-(2-Methylphenyl)acetamide120-66-1 (1S,2R)-(-)-1-Amino-2-indanol126456-43-7 (+)-cis-1-Amino-2-indanol136030-00-7 1,2,3,4-Tetrahydroisoquinolin-6-ol14446-24-3 (1R,2R)-(-)-trans-1-Amino-2-indanol163061-73-2

Elsewhere

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