| CAS Number | 61239-31-4 |
| Catalog Number | AG00J8BD(AGN-PC-0ODB43) |
| Chemical Name | 2-(N'-hydroxycarbamimidoyl)-N-phenylacetamide |
| IUPAC Name | 3-amino-3-hydroxyimino-N-phenylpropanamide |
| InChI | InChI=1S/C9H11N3O2/c10-8(12-14)6-9(13)11-7-4-2-1-3-5-7/h1-5,14H,6H2,(H2,10,12)(H,11,13) |
| InChI Key | XTQZAZLVSUZNQQ-UHFFFAOYSA-N |
| MDL Number | MFCD00456505 |
| Molecular Formula | C9H11N3O2 |
| Molecular Weight | 193.2025 |
| SMILES | NC(CC(NC1=CC=CC=C1)=O)=NO |
| Synonyms | 61239-31-4,
2-(N'-hydroxycarbamimidoyl)-N-phenylacetamide,
Propanamide, 3-(hydroxyamino)-3-imino-N-phenyl-,
AC1N5XZX,
phenylcarbamoylacetamidoxime,
CTK2E4237,
CTK8A6143,
DTXSID80400842,
AKOS030662804,
3-amino-3-hydroxyimino-N-phenylpropanamide,
CID4206675,
2-(N'-hydroxycarbamimidoyl)-N-phenyl-acetamide,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.206g/mol |
| Monoisotopic Mass | 193.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number