3-Bromo-N-methylbenzenamine
Properties
- Molecular formula
- C7H8BrN
- Molar mass
- 186.05 g/mol
- Exact mass
- 184.9840 Da
- Boiling point
- 253 °C
- logP
- 2.49Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 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
66584-32-5SMILES
CNc1cccc(Br)c1InChIKey
HKOSFZXROYRVJT-UHFFFAOYSA-NInChI
InChI=1S/C7H8BrN/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzenamine, 3-bromo-N-methyl-
- 3-Bromo-N-methylaniline
- N-(3-Bromophenyl)-N-methylamine
- (3-Bromophenyl)methylamine
- N-Methyl-3-bromoaniline
- (3-Bromophenyl)-N-methylamine
Work with 3-Bromo-N-methylbenzenamine
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
4-Bromo-N-methylaniline6911-87-154 % similar
3-Fluoro-N-methylaniline1978-37-654 % similar
N,3-Dimethylaniline696-44-654 % similar
3-Chloro-N-methylaniline7006-52-254 % similar
3-Bromophenylhydrazine hydrochloride27246-81-753 % similar
1,3-Dibromobenzene108-36-152 % similar
N-Methylaniline100-61-848 % similar
(3-Bromobenzyl)methylamine67344-77-847 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.