2-Isopropylaniline - CAS 643-28-7
Catalog: |
BB032439 |
Product Name: |
2-Isopropylaniline |
CAS: |
643-28-7 |
Synonyms: |
2-propan-2-ylaniline |
IUPAC Name: | 2-propan-2-ylaniline |
Description: | o-Isopropylaniline was used in the synthesis of a colorless amine-coordinated zinc complex. |
Molecular Weight: | 135.21 |
Molecular Formula: | C9H13N |
Canonical SMILES: | CC(C)C1=CC=CC=C1N |
InChI: | InChI=1S/C9H13N/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,10H2,1-2H3 |
InChI Key: | YKOLZVXSPGIIBJ-UHFFFAOYSA-N |
Boiling Point: | 93-113 °C (10 torr) |
Purity: | 95 % |
Density: | 0.966 g/cm3 |
Appearance: | Clear pale yellow liquid |
MDL: | MFCD00007720 |
LogP: | 2.97340 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113173872-A | Synthetic method of diafenthiuron impurity C | 20210329 |
CN-113200865-A | Synthetic method of diafenthiuron impurity A, B | 20210329 |
CN-113200866-A | Synthetic method of diafenthiuron impurity D | 20210329 |
CN-112778154-A | Aryl alkyl ether compound and derivative thereof, preparation method, pharmaceutical composition and application | 20210118 |
CN-111646943-A | Binaphthol diimide derivative and preparation method thereof | 20200618 |
PMID | Publication Date | Title | Journal |
18813921 | 20090101 | Directed evolution of aniline dioxygenase for enhanced bioremediation of aromatic amines | Applied microbiology and biotechnology |
21200845 | 20071206 | 2,6-Bis[1-(2-isopropyl-phenyl-imino)-ethyl]-pyridine | Acta crystallographica. Section E, Structure reports online |
17269935 | 20070201 | Probing the molecular determinants of aniline dioxygenase substrate specificity by saturation mutagenesis | The FEBS journal |
12418875 | 20021113 | C-C bond formation via C-H bond activation: catalytic arylation and alkenylation of alkane segments | Journal of the American Chemical Society |
Complexity: | 98.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.104799419 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.104799419 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS