4-Guanidino-2-methoxybenzoic Acid Hydrochloride - CAS 1028486-08-9
Catalog: |
BB000959 |
Product Name: |
4-Guanidino-2-methoxybenzoic Acid Hydrochloride |
CAS: |
1028486-08-9 |
Synonyms: |
4-(diaminomethylideneamino)-2-methoxybenzoic acid;hydrochloride; 4-(diaminomethylideneamino)-2-methoxybenzoic acid;hydrochloride |
IUPAC Name: | 4-(diaminomethylideneamino)-2-methoxybenzoic acid;hydrochloride |
Description: | 4-Guanidino-2-methoxybenzoic Acid Hydrochloride (CAS# 1028486-08-9 ) is a useful research chemical. |
Molecular Weight: | 245.66 |
Molecular Formula: | C9H12ClN3O3 |
Canonical SMILES: | COC1=C(C=CC(=C1)N=C(N)N)C(=O)O.Cl |
InChI: | InChI=1S/C9H11N3O3.ClH/c1-15-7-4-5(12-9(10)11)2-3-6(7)8(13)14;/h2-4H,1H3,(H,13,14)(H4,10,11,12);1H |
InChI Key: | UAUPRRDMUGWWJX-UHFFFAOYSA-N |
LogP: | 2.37380 |
Publication Number | Title | Priority Date |
JP-2013520424-A | Sodium 4-{[9-chloro-7- (2-fluoro-6-methoxyphenyl) -5H-pyrimido [5,4-d] [2] benzoazepin-2-yl] amino} -2-methoxybenzoate Crystal form | 20100219 |
JP-2015180679-A | Sodium 4-{[9-chloro-7- (2-fluoro-6-methoxyphenyl) -5H-pyrimido [5,4-d] [2] benzoazepin-2-yl] amino} -2-methoxybenzoate Crystal form | 20100219 |
US-10017513-B2 | Crystalline forms of sodium 4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido [5,4-D][2]benzazepin-2-YL]amino}-2-methoxybenzoate | 20100219 |
US-2011245234-A1 | Crystalline forms of sodium 4--2-methoxybenzoate | 20100219 |
US-2014357622-A1 | Crystalline forms of sodium 4--2-methoxybenzoate | 20100219 |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.0567189 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.0567189 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 111 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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