| CAS Number | 167846-36-8 |
| Catalog Number | AG00ASRX |
| Chemical Name | 3-(2-Aminoethyl)benzoic acid methyl ester HCl |
| IUPAC Name | methyl 3-(2-aminoethyl)benzoate;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c1-13-10(12)9-4-2-3-8(7-9)5-6-11;/h2-4,7H,5-6,11H2,1H3;1H |
| InChI Key | BGAZMFTXUBRZLI-UHFFFAOYSA-N |
| MDL Number | MFCD20257275 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | C(=O)(OC)c1cc(CCN)ccc1.Cl |
| Synonyms | methyl 3-(2-aminoethyl)benzoate hydrochloride,
167846-36-8,
3-(2-Aminoethyl)benzoic acid methyl ester HCl,
SCHEMBL4447485,
BGAZMFTXUBRZLI-UHFFFAOYSA-N,
MFCD20257275,
AKOS030713843,
MCULE-7455493470,
NE58870,
CS-0079968,
Methyl3-(2-aminoethyl)benzoate hydrochloride,
J-010399,
3-(2-Aminoethyl)benzoic acid methyl ester hydrochloride,
Z1682072452,
methyl 3-(2-aminoethyl)benzoate HCL,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.677g/mol |
| Monoisotopic Mass | 215.071g/mol |
| Rotatable Bond Count | 4 |
| 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
Lot Number