CAS 99-55-8|2-Methyl-5-nitroaniline|2-methyl-5-nitroaniline|fast scarlet G|5-硝基邻甲苯胺|2-甲基-5-硝基苯胺|2-氨基-4-硝基甲苯|2-Methyl-5-nitroaniline|2-AMINO-4-NITROTOLUENE|PNOT|2-Amino-4-nitrotolue...

General Information

Structure

Molecular Formula

C₇H₈N₂O₂

Molecular Mass

152.15062

Exact Mass

152.05857751

Charge

InChI

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

InChIKey

DSBIJCMXAIKKKI-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

Nc1c(ccc(c1)[N+](=O)[O-])C

Calculated Properties

JChem

LogD (pH = 7.4)

1.60

LogD (pH = 5.5)

1.60

Log P

1.60

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

1.73

Polar Surface Area

69.16

Polarizability

14.76

Molar Refractivity

42.12

LOG S

-2.23

Data Source

Names and Identifiers

Synonyms

2-Methyl-5-nitroaniline5-硝基邻甲苯胺2-甲基-5-硝基苯胺2-氨基-4-硝基甲苯2-Methyl-5-nitroaniline2-AMINO-4-NITROTOLUENE2-Amino-4-nitrotoluene5-Nitro-o-toluidine2-甲基-5-硝基苯胺5-硝基-邻甲苯胺2-Methyl-5-nitroaniline5-Nitro-o-toluidineo-amino-p-nitrotoluene5-nitro-o-toluidine3-Nitro-6-methylaniline5-Nitro-o-toluidine2-Amino-4-nitrotoluene2-Methyl-5-nitrobenzenamine6-Methyl-3-nitroaniline1-Amino-2-methyl-5-nitrobenzene5-Nitro-2-methylaniline4-Nitro-2-aminotoluene5-Nitro-2-toluidine2-Methyl-5-nitro-benzeneamine

IUPAC name

2-methyl-5-nitroaniline

IUPAC Traditional name

fast scarlet G PNOT 2-amino-4-nitrotoluene

Names and Identifiers

Registration numbers

CAS Number

99-55-8

EC Number

202-765-8

MDL Number

MFCD00007741