4-(Dimethylphosphinyl)benzenamine Hydrochloride - CAS 479353-60-1
Catalog: |
BB066884 |
Product Name: |
4-(Dimethylphosphinyl)benzenamine Hydrochloride |
CAS: |
479353-60-1 |
Synonyms: |
4-(Dimethylphosphoryl)benzenamine Hydrochloride;4-(Dimethylphosphinoyl)aniline Hydrochloride;(4-Aminophenyl)dimethylphosphine Oxide Hydrochloride |
IUPAC Name: | 4-dimethylphosphorylanilinehydrochloride |
Description: | 4-(Dimethylphosphinyl)benzenamine Hydrochloride is the salt form of 4-(Dimethylphosphinyl)benzenamine, a reactant in the preparation of 9-(arenethenyl)purines as dual Src/Abl kinase inhibitors. |
Molecular Weight: | 169.16 + 36.46 |
Molecular Formula: | C8H12NOP·HCl |
Canonical SMILES: | CP(=O)(C)C1=CC=C(C=C1)N.Cl |
InChI: | InChI=1S/C8H12NOP.ClH/c1-11(2,10)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H31H |
InChI Key: | OAHOSYPEIKFMCS-UHFFFAOYSA-N |
Melting Point: | >215°C (dec.) |
Solubility: | DMSO (Slightly), Water (Slightly) |
Appearance: | Pale Brown to Light Brown Solid |
Storage: | 4°C, Hygroscopic |
References: | Huang, Wei-Sheng, et al. J. of Med. Chem.,52(15),4743-4756(2009). |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.0423287 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.0423287 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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