2, 3, 4- Trichlorobenzenemethanamine - CAS 1261650-37-6
Catalog: |
BB076845 |
Product Name: |
2, 3, 4- Trichlorobenzenemethanamine |
CAS: |
1261650-37-6 |
Synonyms: |
2,3,4-Trichlorobenzylamine; (2,3,4-trichlorophenyl)methanamine; 2,3,4-Trichlorobenzenemethanamine |
IUPAC Name: | (2,3,4-trichlorophenyl)methanamine |
Description: | 2,3,4-Trichlorobenzenemethanamine is an intermediate in the synthesis of Anagrelide (A637300) related compounds. |
Molecular Weight: | 210.49 |
Molecular Formula: | C7H6Cl3N |
Canonical SMILES: | C1=CC(=C(C(=C1CN)Cl)Cl)Cl |
InChI: | InChI=1S/C7H6Cl3N/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H,3,11H2 |
InChI Key: | OKIMHEVSMNCNKB-UHFFFAOYSA-N |
Solubility: | DCM, Ethyl Acetate |
Appearance: | Light Brown Solid |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.956582 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.956582 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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