| CAS Number | 1046758-68-2 |
| Catalog Number | AG0096JP |
| Chemical Name | Methyl 2-(2-aminoethyl)benzoate hydrochloride |
| IUPAC Name | methyl 2-(2-aminoethyl)benzoate;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c1-13-10(12)9-5-3-2-4-8(9)6-7-11;/h2-5H,6-7,11H2,1H3;1H |
| InChI Key | ZHHVCHOHUPLRED-UHFFFAOYSA-N |
| MDL Number | MFCD08061333 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | O=C(OC)C1=CC=CC=C1CCN.[H]Cl |
| Synonyms | Methyl 2-(2-aminoethyl)benzoate hydrochloride,
1046758-68-2,
SCHEMBL4443950,
ZHHVCHOHUPLRED-UHFFFAOYSA-N,
MFCD08061333,
2-Aminoethylbenzoic acid methyl ester HCl,
AK173592,
|
| 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
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number