| CAS Number | 103096-02-2 |
| Catalog Number | AG009K6D |
| Chemical Name | Methyl 3-(3-aminophenyl)propanoate hydrochloride |
| IUPAC Name | methyl 3-(3-aminophenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c1-13-10(12)6-5-8-3-2-4-9(11)7-8;/h2-4,7H,5-6,11H2,1H3;1H |
| InChI Key | UPXYAKKZOLELBU-UHFFFAOYSA-N |
| MDL Number | MFCD29050458 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | Cl.COC(CCC1=CC(N)=CC=C1)=O |
| Synonyms | 103096-02-2,
3-Amino-benzenepropanoic acid methyl ester hydrochloride,
SCHEMBL1788098,
Methyl 3-(3-Aminophenyl)propanoate Hydrochloride,
3-AMino-benzenepropanoic acid Methyl ester HCl,
methyl 3-(3-aminophenyl)propanoate;hydrochloride,
|
| 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 |
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Certificate of Analysis
Lot Number