| CAS Number | 90562-54-2 |
| Catalog Number | AG01AILZ(AGN-PC-0VQRGK) |
| Chemical Name | 2-{[(4-Chlorophenyl)methyl]amino}acetic acid hydrochloride |
| IUPAC Name | 2-[(4-chlorophenyl)methylamino]acetic acid;hydrochloride |
| InChI | InChI=1S/C9H10ClNO2.ClH/c10-8-3-1-7(2-4-8)5-11-6-9(12)13;/h1-4,11H,5-6H2,(H,12,13);1H |
| InChI Key | IHCCFLKCGJPXDF-UHFFFAOYSA-N |
| MDL Number | MFCD17430341 |
| Molecular Formula | C9H11Cl2NO2 |
| Molecular Weight | 236.0951 |
| SMILES | Cl.OC(CNCC1=CC=C(Cl)C=C1)=O |
| Synonyms | 90562-54-2,
2-{[(4-chlorophenyl)methyl]amino}acetic acid hydrochloride,
2-((4-chlorobenzyl)amino)acetic acid hydrochloride,
DTXSID30637247,
NSC52851,
NSC-52851,
NSC181506,
AKOS008090843,
MCULE-6575413490,
NE16209,
NSC-181506,
N-(4-chlorobenzyl)glycine hydrochloride,
EN300-78292,
Z1259339984,
N-[(4-Chlorophenyl)methyl]glycine--hydrogen chloride (1/1),
2-[(4-chlorophenyl)methylamino]acetic acid;hydrochloride,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.092g/mol |
| Monoisotopic Mass | 235.017g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number