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

C₉H₁₀BrNCAS 114744-51-3212.09 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₉H₁₀BrN
Molar mass: 212.09 g/mol
Exact mass: 210.9997 Da
Melting point: 68–69 °C
logP: 2.81Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

114744-51-3

SMILES

Brc1ccc2c(c1)NCCC2

InChIKey

DRVWZEWZXCZNAR-UHFFFAOYSA-N

InChI

InChI=1S/C9H10BrN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h3-4,6,11H,1-2,5H2

Weigh it out

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

Names and synonyms

1 names

Quinoline, 7-bromo-1,2,3,4-tetrahydro-

Work with 7-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

7-Hydroxy-1,2,3,4-tetrahydroquinoline58196-33-161 % similar 6-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine105655-01-450 % similar Tetrahydroquinoline635-46-150 % similar 3-Bromobicyclo[4.2.0]octa-1,3,5-triene1073-39-848 % similar 6-Hydroxy-1,2,3,4-tetrahydroquinoline3373-00-047 % similar 7-Bromo-3,4-dihydro-2H-1,4-benzoxazine105679-22-946 % similar 6''-Amino-1,2,3,4-tetrahydroquinoline103796-41-443 % similar 6-Methyl-1,2,3,4-tetrahydroquinoline91-61-243 % similar

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

Same formula

5-Bromo-1,2,3,4-tetrahydroquinoline114744-50-2 7-Bromo-1,2,3,4-tetrahydroisoquinoline17680-55-6 8-Bromo-1,2,3,4-tetrahydroisoquinoline75416-51-2

Elsewhere

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