| CAS Number | 1193387-39-1 |
| Catalog Number | AG019W6F(AGN-PC-07HC9I) |
| Chemical Name | Methyl 2-([4-(aminomethyl)phenyl]formamido)acetate hydrochloride |
| IUPAC Name | methyl 2-[[4-(aminomethyl)benzoyl]amino]acetate;hydrochloride |
| InChI | InChI=1S/C11H14N2O3.ClH/c1-16-10(14)7-13-11(15)9-4-2-8(6-12)3-5-9;/h2-5H,6-7,12H2,1H3,(H,13,15);1H |
| InChI Key | KTXBGEVIYUMOLO-UHFFFAOYSA-N |
| MDL Number | MFCD12912885 |
| Molecular Formula | C11H15ClN2O3 |
| Molecular Weight | 258.7014 |
| SMILES | Cl.COC(CNC(C1=CC=C(CN)C=C1)=O)=O |
| Synonyms | methyl 2-{[4-(aminomethyl)phenyl]formamido}acetate hydrochloride,
1193387-39-1,
CTK7E4371,
AKOS026855661,
MCULE-3265347695,
NE56965,
EN300-50673,
J-004103,
Z752370848,
AC1Q3BXZ,
methyl 2-([4-(aminomethyl)phenyl]formamido)acetate hydrochloride,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.07712g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.7g/mol |
| Monoisotopic Mass | 258.07712g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 81.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number