6-Bromo-1-isoquinolinamine

C₉H₇BrN₂CAS 215453-26-2223.07 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₉H₇BrN₂
Molar mass: 223.07 g/mol
Exact mass: 221.9793 Da
logP: 2.58Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

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+P316, 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

215453-26-2

SMILES

Nc1nccc2cc(Br)ccc12

InChIKey

PZNNAAGLKCNZKE-UHFFFAOYSA-N

InChI

InChI=1S/C9H7BrN2/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H,(H2,11,12)

Weigh it out

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

Names and synonyms

4 names

1-Isoquinolinamine, 6-bromo-
1-Amino-6-bromoisoquinoline
6-Bromoisoquinolin-1-amine
(6-Bromoisoquinolin-1-yl)amine

Work with 6-Bromo-1-isoquinolinamine

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

6-Bromo-1-chloro-isoquinoline205055-63-659 % similar 2,7-Dibromophenanthrene62325-30-852 % similar 7-Bromo-1-chloroisoquinoline215453-51-346 % similar 6-Bromo-1H-indazol-3-amine404827-77-646 % similar 2-Amino-4-bromopyridine84249-14-945 % similar 2-Bromophenanthrene62162-97-444 % similar 6-Bromoisoquinoline34784-05-943 % similar 7-Bromoisoquinoline58794-09-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(4-Bromophenyl)imidazole10040-96-7 1-Bromoisoquinolin-3-amine13130-79-5 5-Bromo-quinolin-8-ylamine53472-18-7 3-(4-Bromophenyl)-1H-pyrazole73387-46-9

Elsewhere

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