4-Chloro-5-methylbenzene-1,2-diamine

C₇H₉ClN₂CAS 63155-04-4156.61 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₉ClN₂
Molar mass: 156.61 g/mol
Exact mass: 156.0454 Da
logP: 1.81Crippen 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

63155-04-4

SMILES

CC1=CC(=C(C=C1Cl)N)N

InChIKey

HOFKXNBVTNUDSH-UHFFFAOYSA-N

InChI

InChI=1S/C7H9ClN2/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,9-10H2,1H3

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Work with 4-Chloro-5-methylbenzene-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-Chloro-2-methoxy-5-methylaniline6376-14-364 % similar 2,5-Dichloro-p-xylene1124-05-662 % similar 4,5-Dimethyl-1,2-phenylenediamine3171-45-762 % similar 4,5-Dichloro-1,2-phenylenediamine5348-42-562 % similar 2,4,5-Trichlorotoluene6639-30-157 % similar 3-Chloro-4-methylaniline95-74-956 % similar 2-Chloro-4-fluoro-5-methylaniline124185-35-955 % similar 2,5-Dichloro-1,4-benzenediamine20103-09-755 % similar

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

Same formula

Benzamidine hydrochloride1670-14-0 2-Chloro-5-propylpyrimidine219555-98-3 2-Chloro-5-methyl-1,4-benzenediamine5307-03-9

Elsewhere

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