5-Bromo-3-methyl-benzene-1,2-diamine

C₇H₉BrN₂CAS 76153-06-5201.07 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₉BrN₂
Molar mass: 201.07 g/mol
Exact mass: 199.9949 Da
logP: 1.92Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

76153-06-5

SMILES

CC1=CC(=CC(=C1N)N)Br

InChIKey

UOFSLKHZOPVGHG-UHFFFAOYSA-N

InChI

InChI=1S/C7H9BrN2/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,9-10H2,1H3

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Names and synonyms

1 names

5-Bromo-3-methylbenzene-1,2-diamine

Work with 5-Bromo-3-methyl-benzene-1,2-diamine

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

4-Bromo-2,6-dimethylbenzenamine24596-19-875 % similar 4-Bromo-2-chloro-6-methylbenzenamine30273-42-860 % similar 5-Bromo-2-methylbenzenamine39478-78-955 % similar 4-Bromo-2-methylaniline583-75-555 % similar 2-Amino-5-bromo-3-methylbenzoic acid206548-13-250 % similar 4-Bromo-2-methyl-6-nitrobenzenamine77811-44-050 % similar 4-Bromo-2,6-dimethylanisole14804-38-747 % similar 5-Bromo-2-iodo-1,3-dimethylbenzene206559-43-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Bromo-4,6-dimethyl-3-pyridinamine104829-98-3 5-Bromo-N,3-dimethylpyridin-2-amine245765-66-6 5-Bromo-N,N-dimethylpyridin-2-amine26163-07-5 5-Bromo-3,4-dimethyl-2-pyridinamine374537-97-0

Elsewhere

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