Methyl 4-(2-Aminoethoxy)benzoate Hydrochloride - CAS 210113-85-2
Catalog: |
BB016534 |
Product Name: |
Methyl 4-(2-Aminoethoxy)benzoate Hydrochloride |
CAS: |
210113-85-2 |
Synonyms: |
4-(2-aminoethoxy)benzoic acid methyl ester;hydrochloride; methyl 4-(2-aminoethoxy)benzoate;hydrochloride |
IUPAC Name: | methyl 4-(2-aminoethoxy)benzoate;hydrochloride |
Description: | Methyl 4-(2-Aminoethoxy)benzoate Hydrochloride (CAS# 210113-85-2 ) is a useful research chemical. |
Molecular Weight: | 231.68 |
Molecular Formula: | C10H14ClNO3 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)OCCN.Cl |
InChI: | InChI=1S/C10H13NO3.ClH/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11;/h2-5H,6-7,11H2,1H3;1H |
InChI Key: | YKKLMHVRCUIUIT-UHFFFAOYSA-N |
LogP: | 2.31300 |
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 |
US-2008248506-A1 | Method of Monitoring Anti-Tumor Activity of an Hdac Inhibitor | 20041007 |
WO-2006042035-A2 | Method of monitoring anti-tumor activity of an hdac inhibitor | 20041007 |
US-2005227976-A1 | Novel hydroxamates as therapeutic agents | 20040407 |
US-7368476-B2 | Hydroxamates as therapeutic agents | 20040407 |
AU-2004230889-A1 | Hydroxamates as therapeutic agents | 20030407 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.0662210 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.0662210 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 61.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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