5-Bromo-1,2,3,4-tetrahydroquinoline

C9H10BrNCAS 114744-50-2212.09 g/mol

Open in Covalent MOL file
BrNH
Aryl halideSecondary amine

Properties

Molecular formula
C9H10BrN
Molar mass
212.09 g/mol
Exact mass
210.9997 Da
logP
2.81Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
114744-50-2
SMILES
C1CC2=C(C=CC=C2Br)NC1
InChIKey
WTZQIKXLRRDMCP-UHFFFAOYSA-N
InChI
InChI=1S/C9H10BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,4-5,11H,2-3,6H2

Weigh it out

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

Names and synonyms

1 names
  • 5-Bromo-1,2,3,4-tetrahydro-quinoline hydrochloride

Work with 5-Bromo-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

Tetrahydroquinoline635-46-150 % similar 4-Chloroindoline41910-64-945 % similar 2,3,4,5-Tetrahydro-1H-benzo[B]azepine1701-57-144 % similar 4-Bromooxindole99365-48-741 % similar 5-Bromo-1-tetralone68449-30-939 % similar 1,2,3,4-Tetrahydroquinoxaline3476-89-939 % similar Indoline496-15-138 % similar 6''-Amino-1,2,3,4-tetrahydroquinoline103796-41-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

7-Bromo-1,2,3,4-tetrahydroquinoline114744-51-3 7-Bromo-1,2,3,4-tetrahydroisoquinoline17680-55-6 6-Bromo-1,2,3,4-tetrahydroquinoline22190-35-8 6-Bromo-1,2,3,4-tetrahydroisoquinoline226942-29-6 8-Bromo-1,2,3,4-tetrahydroisoquinoline75416-51-2

Elsewhere

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