3-Methyl-5-nitroaniline - CAS 618-61-1
Catalog: |
BB031297 |
Product Name: |
3-Methyl-5-nitroaniline |
CAS: |
618-61-1 |
Synonyms: |
3-methyl-5-nitroaniline; 3-methyl-5-nitroaniline |
IUPAC Name: | 3-methyl-5-nitroaniline |
Description: | 3-Methyl-5-nitroaniline (CAS# 618-61-1) is used in the synthesis of potent BMX inhibitors responsible for hampering ATP catalysis. |
Molecular Weight: | 152.15 |
Molecular Formula: | C7H8N2O2 |
Canonical SMILES: | CC1=CC(=CC(=C1)[N+](=O)[O-])N |
InChI: | InChI=1S/C7H8N2O2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,8H2,1H3 |
InChI Key: | DZIJEXQVMORGQX-UHFFFAOYSA-N |
Boiling Point: | 324.2 °C at 760 mmHg |
Density: | 1.269 g/cm3 |
MDL: | MFCD00082655 |
LogP: | 2.58980 |
Publication Number | Title | Priority Date |
CN-111909359-A | Curing agent and preparation method and application thereof | 20200717 |
CN-112707902-A | TGF-beta receptor inhibitors | 20200323 |
WO-2020245430-A1 | Benzo[h][1,6] naphthyridin-2(1h)-ones as bmx inhibitors, for use against cancer | 20190607 |
CN-105622582-A | Method for synthesizing ramosetron hydrochloride through ramosetron | 20160301 |
CN-105669655-A | Synthesis method of Ramosetron | 20160301 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.058577502 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Amines and Anilines
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