3-Bromo-2,4,6-trimethylaniline

C₉H₁₂BrNCAS 82842-52-2214.11 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₉H₁₂BrN
Molar mass: 214.11 g/mol
Exact mass: 213.0153 Da
logP: 2.96Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed11.4% of notifiers
H312 Harmful in contact with skin11.4% of notifiers
H315 Causes skin irritation90.9% of notifiers
H319 Causes serious eye irritation90.9% of notifiers
H332 Harmful if inhaled11.4% of notifiers
H335 May cause respiratory irritation88.6% of notifiers

Aggregated from 44 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

82842-52-2

SMILES

CC1=CC(=C(C(=C1N)C)Br)C

InChIKey

MVLMPTBHZPYDBZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H12BrN/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,11H2,1-3H3

Weigh it out

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

Work with 3-Bromo-2,4,6-trimethylaniline

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

2,4,6-Trimethyl-1,3-phenylenediamine3102-70-367 % similar 2,4-Dibromo-1,3,5-trimethylbenzene6942-99-067 % similar 3-Bromo-1,2,4,5-tetramethylbenzene1646-53-354 % similar 4-Bromo-2,6-dimethylbenzenamine24596-19-850 % similar 4-Bromo-3,5-dimethylaniline59557-90-350 % similar 3,3′,5,5′-Tetramethylbenzidine54827-17-744 % similar 2-Bromo-4-nitro-1,3,5-trimethylbenzene90561-85-644 % similar 3-Chloro-2,6-dimethylaniline26829-77-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-6-tert-butylpyridine195044-14-5 2-Bromo-4-tert-butylpyridine50488-34-1 2-Bromo-4-isopropylaniline51605-97-1 4-Bromo-2,6-diethyl-pyridine877133-54-5

Elsewhere

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