CAS 99-52-5|2-methyl-4-nitroaniline|2-Methyl-4-nitroaniline|4-nitro-2-toluidine|2-AMINO-5-NITROTOLUENE|4-Nitro-o-toluidine|2-Amino-5-nitrotoluene|2-甲基-4-硝基苯胺|2-氨基-5-硝基甲苯|Fast Red RL Base...

General Information

Structure

Molecular Formula

C₇H₈N₂O₂

Molecular Mass

152.15062

Exact Mass

152.05857751

Charge

InChI

InChI=1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3

InChIKey

XTTIQGSLJBWVIV-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1ccc(c(c1)C)N

Isomeric Smiles

Nc1c(cc(cc1)[N+](=O)[O-])C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.5976928

LogD (pH = 7.4)

1.597725

Log P

1.5977254

Molar Refractivity

42.1201

Polarizability

15.117032

Polar Surface Area

69.16

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2-methyl-4-nitroaniline

Synonyms

2-Methyl-4-nitroaniline2-AMINO-5-NITROTOLUENE4-Nitro-o-toluidine2-Amino-5-nitrotoluene2-甲基-4-硝基苯胺2-氨基-5-硝基甲苯2-Methyl-4-nitrobenzenamineFast Red RL Base2-Methyl-4-nitroaniline对硝基邻甲苯胺2-Methyl-4-nitrophenylamine2-Amino-1-methyl-5-nitrobenzene1-Amino-2-methyl-4-nitrobenzene2-Methyl-4-nitro-benzenamine

IUPAC Traditional name

4-nitro-2-toluidine

Names and Identifiers

Registration numbers

Beilstein Number

775772

EC Number

202-762-1

CAS Number

99-52-5

PubChem SID

248695671620333872484624124848779