| CAS Number | 501653-62-9 |
| Catalog Number | AG00I8YP |
| Chemical Name | 2-((3-Bromobenzyl)amino)acetic acid |
| IUPAC Name | 2-[(3-bromophenyl)methylamino]acetic acid |
| InChI | InChI=1S/C9H10BrNO2/c10-8-3-1-2-7(4-8)5-11-6-9(12)13/h1-4,11H,5-6H2,(H,12,13) |
| InChI Key | VQMCEIXNBBYYAF-UHFFFAOYSA-N |
| MDL Number | MFCD08443382 |
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 244.0852 |
| NSC Number | 208924 |
| SMILES | OC(CNCC1=CC(Br)=CC=C1)=O |
| Synonyms | [(3-bromobenzyl)amino]acetic acid,
501653-62-9,
2-{[(3-bromophenyl)methyl]amino}acetic acid,
2-((3-Bromobenzyl)amino)acetic acid,
NSC208924,
AC1L7CHK,
AC1Q762C,
CTK8F2238,
2-(3-bromobenzylamino)acetic acid,
ZINC1743890,
MFCD08443382,
AKOS000126503,
MCULE-4424758654,
NE57787,
NSC-208924,
2-[(3-bromophenyl)methylamino]acetic acid,
EN300-27401,
(3-Bromo-benzylamino)-acetic acid,
CID308229,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.088g/mol |
| Monoisotopic Mass | 242.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number