1-Bromoisoquinolin-3-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 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed28.6% of notifiers
- H312 Harmful in contact with skin28.6% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled28.6% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 7 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
13130-79-5SMILES
C1=CC=C2C(=C1)C=C(N=C2Br)NInChIKey
PSQUIUNIVDKHJK-UHFFFAOYSA-NInChI
InChI=1S/C9H7BrN2/c10-9-7-4-2-1-3-6(7)5-8(11)12-9/h1-5H,(H2,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 1-Bromoisoquinolin-3-amine
Similar compounds
5,6-Dibromopyridin-2-amine89284-11-747 % similar
1-Bromoisoquinoline1532-71-445 % similar
2-Amino-4-bromonaphthalene74924-94-043 % similar
Isoquinolin-3-amine25475-67-642 % similar
9-Bromoanthracene1564-64-342 % similar
4-Methyl-2-quinolinamine27063-27-041 % similar
6-Bromo-5-chloro-2-pyridinamine1004294-58-940 % similar
9-Bromophenanthrene573-17-139 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.