| CAS Number | 910443-86-6 |
| Catalog Number | AG00GSO0(AGN-PC-0WCZFH) |
| Chemical Name | 3-Amino-2-(3-bromobenzyl)propionic acid |
| IUPAC Name | 2-(aminomethyl)-3-(3-bromophenyl)propanoic acid |
| InChI | InChI=1S/C10H12BrNO2/c11-9-3-1-2-7(5-9)4-8(6-12)10(13)14/h1-3,5,8H,4,6,12H2,(H,13,14) |
| InChI Key | XHOJQDSCSICOOX-UHFFFAOYSA-N |
| MDL Number | MFCD07372587 |
| Molecular Formula | C10H12BrNO2 |
| Molecular Weight | 258.1118 |
| SMILES | BrC1C=CC=C(C=1)CC(CN)C(O)=O |
| Synonyms | 910443-86-6,
3-Amino-2-(3-bromobenzyl)propionic acid,
3-AMINO-2-(3-BROMOBENZYL)PROPANOIC ACID,
3-amino-2-(3-bromo-benzyl)-propionic acid,
CTK5G8855,
DTXSID30674213,
MFCD07372587,
AKOS023159469,
AB34946,
AK326310,
AS-35927,
AX8083707,
RT-008543,
X-2036,
2-aminomethyl-3-(3-bromo-phenyl)-propionic acid,
2-(Aminomethyl)-3-(3-bromophenyl)propanoic acid,
2-AMINOMETHYL-3-(3-BROMO-PHENYL)-PROPANOIC ACID,
3-AMINO-2-(3-BROMOBENZYL)PROPIONICACID,
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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