| CAS Number | 42288-55-1 |
| Catalog Number | AG00I871 |
| Chemical Name | [3-(Aminomethyl)phenyl]acetic acid hydrochloride |
| IUPAC Name | 2-[3-(aminomethyl)phenyl]acetic acid;hydrochloride |
| InChI | InChI=1S/C9H11NO2.ClH/c10-6-8-3-1-2-7(4-8)5-9(11)12;/h1-4H,5-6,10H2,(H,11,12);1H |
| InChI Key | YTUPIGITZDEVCJ-UHFFFAOYSA-N |
| MDL Number | MFCD25963377 |
| Molecular Formula | C9H12ClNO2 |
| Molecular Weight | 201.6501 |
| SMILES | Cl.NCC1=CC(CC(O)=O)=CC=C1 |
| Synonyms | 42288-55-1,
[3-(Aminomethyl)phenyl]acetic acid hydrochloride,
CHEMBL535643,
(3-aminomethyl-phenyl)-acetic acid ; hydrochloride,
SCHEMBL3761585,
YTUPIGITZDEVCJ-UHFFFAOYSA-N,
2-(3-(Aminomethyl)Phenyl)Acetic Acid HCl,
3-aminomethylphenylacetic acid hydrochloride,
(3-aminomethyl-phenyl)-acetic acid , hydrochloride,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.65g/mol |
| Monoisotopic Mass | 201.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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