Methyl 4-(aminomethyl)benzoate hydrochloride - CAS 6232-11-7
Catalog: |
BB031525 |
Product Name: |
Methyl 4-(aminomethyl)benzoate hydrochloride |
CAS: |
6232-11-7 |
Synonyms: |
methyl 4-(aminomethyl)benzoate;hydrochloride |
IUPAC Name: | methyl 4-(aminomethyl)benzoate;hydrochloride |
Description: | Methyl 4-(Aminomethyl)benzoate Hydrochloride exhibits high histone deacetylases (HDACs) inhibitory potency and antiproliferative activity against several tumor cell lines. |
Molecular Weight: | 201.65 |
Molecular Formula: | C9H12ClNO2 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)CN.Cl |
InChI: | InChI=1S/C9H11NO2.ClH/c1-12-9(11)8-4-2-7(6-10)3-5-8;/h2-5H,6,10H2,1H3;1H |
InChI Key: | GIZCKBSSWNIUMZ-UHFFFAOYSA-N |
Melting Point: | 243 ℃ |
Purity: | 95 % |
Density: | 1.45 g/cm3 |
MDL: | MFCD00182671 |
LogP: | 2.43420 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021129584-A1 | Pd-l1 antagonist compound | 20191226 |
CN-110627801-A | HDAC inhibitor and application thereof | 20191017 |
CN-110627801-B | HDAC inhibitor and application thereof | 20191017 |
WO-2021065980-A1 | Bet degrader | 20190930 |
WO-2021013163-A1 | Histone deacetylase 6 inhibitors and method for treating neuropathic pain | 20190723 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.0556563 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.0556563 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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