4-Isopropyl-2-nitroaniline - CAS 63649-64-9
Catalog: |
BB032227 |
Product Name: |
4-Isopropyl-2-nitroaniline |
CAS: |
63649-64-9 |
Synonyms: |
2-nitro-4-propan-2-ylaniline; 2-nitro-4-propan-2-ylaniline |
IUPAC Name: | 2-nitro-4-propan-2-ylaniline |
Description: | 4-Isopropyl-2-nitroaniline (CAS# 63649-64-9) is a useful research chemical. |
Molecular Weight: | 180.20 |
Molecular Formula: | C9H12N2O2 |
Canonical SMILES: | CC(C)C1=CC(=C(C=C1)N)[N+](=O)[O-] |
InChI: | InChI=1S/C9H12N2O2/c1-6(2)7-3-4-8(10)9(5-7)11(12)13/h3-6H,10H2,1-2H3 |
InChI Key: | SBXKBHDWJBOCIG-UHFFFAOYSA-N |
Boiling Point: | 142-144 °C / 0.4 mmHg |
Density: | 1.172 g/cm3 |
LogP: | 3.40480 |
Publication Number | Title | Priority Date |
US-10654873-B2 | Cytotoxic agents and conjugates thereof | 20160915 |
US-2019202839-A1 | Novel Cytotoxic Agents And Conjugates Thereof | 20160915 |
CN-104072425-B | Benzimidazoles compound and application thereof | 20140709 |
US-2014206013-A1 | Split peroxidases and methods of use | 20130116 |
US-9012170-B2 | Split peroxidases and methods of use | 20130116 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.08987763 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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