| CAS Number | 103632-70-8 |
| Catalog Number | AG00HA4M(AGN-PC-0OSHM4) |
| Chemical Name | Ethyl 3-amino-2-benzylpropanoate, HCl |
| IUPAC Name | ethyl 2-(aminomethyl)-3-phenylpropanoate;hydrochloride |
| InChI | InChI=1S/C12H17NO2.ClH/c1-2-15-12(14)11(9-13)8-10-6-4-3-5-7-10;/h3-7,11H,2,8-9,13H2,1H3;1H |
| InChI Key | CVCDRJHUZLEEEB-UHFFFAOYSA-N |
| MDL Number | MFCD13368228 |
| Molecular Formula | C12H18ClNO2 |
| Molecular Weight | 243.7298 |
| SMILES | Cl.CCOC(C(CC1=CC=CC=C1)CN)=O |
| Synonyms | ethyl 3-amino-2-benzylpropanoate hydrochloride,
103632-70-8,
2-AMINOMETHYL-3-PHENYLPROPIONIC ACID ETHYL ESTER HCL,
AC1Q39W9,
SCHEMBL1185928,
CTK7E2008,
CVCDRJHUZLEEEB-UHFFFAOYSA-N,
MFCD13368228,
Ethyl 3-amino-2-benzylpropanoate, HCl,
AS-37458,
EN300-56219,
X-3187,
3-amino-2-benzylpropionic acid ethyl ester hydrochloride,
2-Aminomethyl-3-phenylpropionic acid ethyl ester hydrochloride,
Benzenepropanoic acid, a-(aminomethyl)-, ethyl ester, hydrochloride,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.731g/mol |
| Monoisotopic Mass | 243.103g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number