(4-Aminobenzyl)phosphonic Acid Hydrochloride - CAS 773057-66-2
Catalog: |
BB075119 |
Product Name: |
(4-Aminobenzyl)phosphonic Acid Hydrochloride |
CAS: |
773057-66-2 |
Synonyms: |
NSC 12117 Hydrochloride; p-Aminobenzylphosphonic Acid Hydrochloride |
IUPAC Name: | (4-aminophenyl)methylphosphonic acidhydrochloride |
Description: | (4-Aminobenzyl)phosphonic Acid is an intermediate used to prepare analogs of the Acanthocheilonema viteae product ES-62 to prevent collagen-induced arthritis. |
Molecular Weight: | 223.59 |
Molecular Formula: | C7H11ClNO3P |
Canonical SMILES: | C1=CC(=CC=C1CP(=O)(O)O)N.Cl |
InChI: | InChI=1S/C7H10NO3P.ClH/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)1H |
InChI Key: | MAXMHEAJMWFLGG-UHFFFAOYSA-N |
References: | Al-Riyami, L., et al. J. Med. Chem., 56, 9982 (2013). |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.0165079 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.0165079 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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