| CAS Number | 210113-92-1 |
| Catalog Number | AG00BKVV(AGN-PC-0IH188) |
| Chemical Name | (3-Aminomethyl-phenyl)-acetic acid ethyl ester, HCl salt |
| IUPAC Name | ethyl 2-[3-(aminomethyl)phenyl]acetate;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c1-2-14-11(13)7-9-4-3-5-10(6-9)8-12;/h3-6H,2,7-8,12H2,1H3;1H |
| InChI Key | GWDONBKEXCYHGZ-UHFFFAOYSA-N |
| MDL Number | MFCD09953122 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | Cl.CCOC(=O)CC1=CC=CC(CN)=C1 |
| Synonyms | 210113-92-1,
ETHYL 2-(3-(AMINOMETHYL)PHENYL)ACETATE HCL,
Ethyl 2-(3-(aminomethyl)phenyl)acetate hydrochloride,
ethyl 2-[3-(aminomethyl)phenyl]acetate hydrochloride,
SCHEMBL5725276,
DTXSID70740764,
GWDONBKEXCYHGZ-UHFFFAOYSA-N,
AB3709,
MFCD09953122,
AS-44729,
X-1182,
ethyl [3-(aminomethyl)phenyl]acetate hydrochloride,
(3-Aminomethyl-phenyl)-acetic acid ethyl ester, HCl salt,
(3-aminomethyl-phenyl)-acetic acid ethyl ester hydrochloride,
Ethyl [3-(aminomethyl)phenyl]acetate--hydrogen chloride (1/1),
Benzeneacetic acid, 3-(aminomethyl)-, ethyl ester, hydrochloride,
3-aminomethylphenylacetic acid ethyl ester(HCl),
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.704g/mol |
| Monoisotopic Mass | 229.087g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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