| CAS Number | 86364-40-1 |
| Catalog Number | AG019VHJ |
| Chemical Name | 4-((2-Amino-2-oxoethyl)amino)benzoic acid |
| IUPAC Name | 4-[(2-amino-2-oxoethyl)amino]benzoic acid |
| InChI | InChI=1S/C9H10N2O3/c10-8(12)5-11-7-3-1-6(2-4-7)9(13)14/h1-4,11H,5H2,(H2,10,12)(H,13,14) |
| InChI Key | XOMZHUGJFNYGBK-UHFFFAOYSA-N |
| MDL Number | MFCD12197178 |
| Molecular Formula | C9H10N2O3 |
| Molecular Weight | 194.1873 |
| SMILES | NC(CNC1=CC=C(C(O)=O)C=C1)=O |
| Synonyms | 4-[(carbamoylmethyl)amino]benzoic acid,
86364-40-1,
4-((2-Amino-2-oxoethyl)amino)benzoic acid,
4-[(2-amino-2-oxoethyl)amino]benzoic acid,
AC1Q4ZP7,
AC1L937J,
CHEMBL286436,
CTK7D3319,
ZINC1602254,
AKOS010007272,
MCULE-5857810007,
NE19724,
EN300-45264,
Z594038082,
Benzoicacid,4-[ amino]-,
CID437187,
NSC409776,
Benzoic acid, 4-[(2-amino-2-oxoethyl)amino]- (9CI),
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.19g/mol |
| Monoisotopic Mass | 194.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number