CAS 119-32-4|4-methyl-3-nitroaniline|2-nitro-P-toluidine|4-Methyl-3-nitroaniline|3-Nitro-4-Methylaniline|m-Nitro-p-Toluidine|5-Nitro-4-Toluidine, 4-Amino-2-Nitrotoluene|2-Nitro-4-Aminotoluene|4-Amin...

General Information

Structure

Molecular Formula

C₇H₈N₂O₂

Molecular Mass

152.15062

Exact Mass

152.05857751

Charge

InChI

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

InChIKey

GDIIPKWHAQGCJF-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(c(c1)[N+](=O)[O-])C

Isomeric Smiles

Nc1cc(c(cc1)C)[N+](=O)[O-]

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.597361

LogD (pH = 7.4)

1.5977209

Log P

1.5977254

Molar Refractivity

42.1201

Polarizability

15.118701

Polar Surface Area

69.16

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

2-nitro-P-toluidine

Synonyms

4-Methyl-3-nitroaniline3-Nitro-4-Methylanilinem-Nitro-p-Toluidine5-Nitro-4-Toluidine, 4-Amino-2-Nitrotoluene2-Nitro-4-Aminotoluene4-Amino-2-nitro-toluene4-Methyl-3-nitroaniline4-甲基-3-硝基苯胺3-Nitro-p-toluidine3-硝基对甲苯胺4-氨基-2-硝基甲苯3-硝基-4-甲基苯胺4-Amino-2-nitrotoluene1-Amino-3-nitro-4-methylbenzene5-Nitro-4-toluidine3-Nitro-4-toluidine4-Methyl-3-nitroanilineNSC 77315-Amino-2-methylnitrobenzene

IUPAC name

4-methyl-3-nitroaniline

Names and Identifiers

Registration numbers

MDL Number

MFCD00007910

CAS Number

119-32-4

PubChem SID

1620342662486953424897061

PubChem CID

8390