CAS 7745-91-7|3-Bromo-4-methylaniline|3-bromo-4-methylaniline|3-bromo-4-methylaniline|3-Bromo-p-toluidine|3-溴-对甲苯胺|3-溴-4-甲基苯胺|3-Bromo-4-methylaniline|NSC 139873|4-Amino-2-bromotoluene|3-Br...

General Information

Structure

Molecular Formula

C₇H₈BrN

Molecular Mass

186.04912

Exact Mass

184.98401126

Charge

InChI

InChI=1S/C7H8BrN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3

InChIKey

GRXMMIBZRMKADT-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(c(c1)Br)C

Isomeric Smiles

Nc1cc(c(cc1)C)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.411096

LogD (pH = 7.4)

2.4262965

Log P

2.426494

Molar Refractivity

43.4224

Polarizability

16.006277

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

3-Bromo-4-methylaniline3-Bromo-p-toluidine3-溴-对甲苯胺3-溴-4-甲基苯胺3-Bromo-4-methylanilineNSC 1398734-Amino-2-bromotoluene3-Bromo-4-methylphenylamine3-Bromo-4-methylbenzenamine

IUPAC Traditional name

3-bromo-4-methylaniline

IUPAC name

3-bromo-4-methylaniline

Names and Identifiers

Registration numbers

CAS Number

MDL Number

Beilstein Number

EC Number

PubChem CID

PubChem SID

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

360619

Packaging
5 g in glass bottle

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

3-Bromo-4-methylaniline3-Bromo-p-toluidine3-溴-对甲苯胺3-溴-4-甲基苯胺3-Bromo-4-methylanilineNSC 1398734-Amino-2-bromotoluene3-Bromo-4-methylphenylamine3-Bromo-4-methylbenzenamine

IUPAC Traditional name

3-bromo-4-methylaniline

IUPAC name

3-bromo-4-methylaniline

Registration numbers

CAS Number

7745-91-7

MDL Number

MFCD00134176

Beilstein Number

1562057

EC Number