| CAS Number | 910443-85-5 |
| Catalog Number | AG006FIX(AGN-PC-059AYL) |
| Chemical Name | 3-Amino-2-(2-bromobenzyl)propanoic acid |
| IUPAC Name | 2-(aminomethyl)-3-(2-bromophenyl)propanoic acid |
| InChI | InChI=1S/C10H12BrNO2/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-4,8H,5-6,12H2,(H,13,14) |
| InChI Key | NZFMYDNPOGZVOM-UHFFFAOYSA-N |
| MDL Number | MFCD07372580 |
| Molecular Formula | C10H12BrNO2 |
| Molecular Weight | 258.1118 |
| SMILES | NCC(C(=O)O)CC1=C(C=CC=C1)Br |
| Synonyms | 910443-85-5,
2-Aminomethyl-3-(2-bromophenyl)propionic acid,
2-aminomethyl-3-(2-bromo-phenyl)-propionic acid,
3-Amino-2-(2-bromobenzyl)propanoic acid,
CTK3I5853,
DTXSID90674214,
ACT10565,
MFCD07372580,
AKOS022172449,
AB34932,
AS-35928,
RT-007379,
2-aminomethyl-3-(2-bromophenyl)Propanoic acid,
2-(Aminomethyl)-3-(2-bromophenyl)propanoic acid,
2-AMINOMETHYL-3- -PROPIONICACID,
2-AMINOMETHYL-3-(2-BROMOPHENYL)PROPIONIC ACID HCL,
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| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.115g/mol |
| Monoisotopic Mass | 257.005g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number