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

C₉H₁₀BrNCAS 114744-50-2212.09 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
logP: 2.81Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

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 1,2,3,4-Tetrahydroquinoxaline3476-89-939 % similar Indoline496-15-138 % similar 6''-Amino-1,2,3,4-tetrahydroquinoline103796-41-435 % similar 6-Hydroxy-1,2,3,4-tetrahydroquinoline3373-00-035 % similar 7-Hydroxy-1,2,3,4-tetrahydroquinoline58196-33-135 % similar 6-Methyl-1,2,3,4-tetrahydroquinoline91-61-235 % 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 8-Bromo-1,2,3,4-tetrahydroisoquinoline75416-51-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook