4-Chlorobenzeneethanimidamide Hydrochloride - CAS 6487-93-0
Catalog: |
BB070157 |
Product Name: |
4-Chlorobenzeneethanimidamide Hydrochloride |
CAS: |
6487-93-0 |
Synonyms: |
2-(p-Chlorophenyl)acetamidine Hydrochloride; 2-(p-Chlorophenyl)acetamidine Monohydrochloride; 4-Chlorobenzeneethanimidamide Monohydrochloride; 2-(4-Chlorophenyl)acetamidine Hydrochloride |
IUPAC Name: | 2-(4-chlorophenyl)ethanimidamidehydrochloride |
Description: | 4-Chlorobenzeneethanimidamide Hydrochloride is a component in the synthesis of 5-HT2C receptor agonists useful in the treatment of urinary incontinence. Also used in a convenient and quick synthesis of 1,3,5-triazine compounds in good yields. |
Molecular Weight: | 205.08 |
Molecular Formula: | C8H10Cl2N2 |
Canonical SMILES: | C1=CC(=CC=C1CC(=N)N)Cl.Cl |
InChI: | InChI=1S/C8H9ClN2.ClH/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H3,10,11)1H |
InChI Key: | JVWYWIOGQGTDGZ-UHFFFAOYSA-N |
References: | Andrews, M. et al. Bioorg. Med. Chem. Lett., 21, 2715 (2011); Kaila, J. et al. Tetra. Lett., 51, 1486, (2011). |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.0221037 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.0221037 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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