5-Aminomethyl-salicylic Acid Methyl Ester Hydrochloride - CAS 90610-24-5
Catalog: |
BB061265 |
Product Name: |
5-Aminomethyl-salicylic Acid Methyl Ester Hydrochloride |
CAS: |
90610-24-5 |
Synonyms: |
Methyl 5-(aminomethyl)-2-hydroxybenzoate hydrochloride; 5-Aminomethyl-salicylic acid methyl ester Hcl; methyl 5-(aminomethyl)-2-hydroxybenzoate; hydrochloride; Methyl5-(aminomethyl)-2-hydroxybenzoatehydrochloride; 5-Aminomethyl-salicylic acid methyl ester hydrochloride; 5-Aminomethylsalicylic acid methyl ester; 5-aminomethyl-2-hydroxybenzoic acid methyl ester |
IUPAC Name: | methyl 5-(aminomethyl)-2-hydroxybenzoatehydrochloride |
Molecular Weight: | 217.64 |
Molecular Formula: | C9H12ClNO3 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1)CN)O.Cl |
InChI: | InChI=1S/C9H11NO3.ClH/c1-13-9(12)7-4-6(5-10)2-3-8(7)11/h2-4,11H,5,10H2,1H31H |
InChI Key: | QKMAXZJEOQYXNZ-UHFFFAOYSA-N |
Storage: | 4°C |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.0505709 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.0505709 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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