Methyl 4-Carbamimidoylbenzoate Hydrochloride - CAS 42823-73-4
Catalog: |
BB025238 |
Product Name: |
Methyl 4-Carbamimidoylbenzoate Hydrochloride |
CAS: |
42823-73-4 |
Synonyms: |
4-carbamimidoylbenzoic acid methyl ester;hydrochloride; methyl 4-carbamimidoylbenzoate;hydrochloride |
IUPAC Name: | methyl 4-carbamimidoylbenzoate;hydrochloride |
Description: | Methyl 4-Carbamimidoylbenzoate Hydrochloride (CAS# 42823-73-4) is a useful research chemical for the study of NVP-TNKS656, and studying the tankyrase inhibitor and studying its structure-efficiency relationships. |
Molecular Weight: | 214.65 |
Molecular Formula: | C9H11ClN2O2 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)C(=N)N.Cl |
InChI: | InChI=1S/C9H10N2O2.ClH/c1-13-9(12)7-4-2-6(3-5-7)8(10)11;/h2-5H,1H3,(H3,10,11);1H |
InChI Key: | SANDFJWTZYOLPM-UHFFFAOYSA-N |
LogP: | 2.35930 |
Publication Number | Title | Priority Date |
JP-2012116113-A | Protective film | 20101201 |
JP-2012131214-A | Protective film | 20101201 |
JP-2012134445-A | Protective film | 20101201 |
WO-2012073804-A1 | Protective film | 20101201 |
WO-2012073805-A1 | Protective film | 20101201 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.0509053 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.0509053 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 76.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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