Ethyl 3-(Aminomethyl)benzoate Hydrochloride - CAS 91843-34-4
Catalog: |
BB040364 |
Product Name: |
Ethyl 3-(Aminomethyl)benzoate Hydrochloride |
CAS: |
91843-34-4 |
Synonyms: |
3-(aminomethyl)benzoic acid ethyl ester;hydrochloride; ethyl 3-(aminomethyl)benzoate;hydrochloride |
IUPAC Name: | ethyl 3-(aminomethyl)benzoate;hydrochloride |
Description: | Ethyl 3-(Aminomethyl)benzoate Hydrochloride (CAS# 91843-34-4) is a useful research chemical. |
Molecular Weight: | 215.68 |
Molecular Formula: | C10H14ClNO2 |
Canonical SMILES: | CCOC(=O)C1=CC(=CC=C1)CN.Cl |
InChI: | InChI=1S/C10H13NO2.ClH/c1-2-13-10(12)9-5-3-4-8(6-9)7-11;/h3-6H,2,7,11H2,1H3;1H |
InChI Key: | ZCJPKKXXARXXCJ-UHFFFAOYSA-N |
LogP: | 2.82430 |
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-3817981-A | N-(6)-aralkyl-adenosine compounds | 19701205 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.0713064 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.0713064 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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