| CAS Number | 61239-35-8 |
| Catalog Number | AG00ECLG(AGN-PC-0ODB49) |
| Chemical Name | 3-(Hydroxyamino)-3-imino-N-(p-tolyl)propanamide |
| IUPAC Name | 3-amino-3-hydroxyimino-N-(4-methylphenyl)propanamide |
| InChI | InChI=1S/C10H13N3O2/c1-7-2-4-8(5-3-7)12-10(14)6-9(11)13-15/h2-5,15H,6H2,1H3,(H2,11,13)(H,12,14) |
| InChI Key | UFIVRVJPTARXGK-UHFFFAOYSA-N |
| MDL Number | MFCD03827214 |
| Molecular Formula | C10H13N3O2 |
| Molecular Weight | 207.2291 |
| SMILES | O=C(NC1=CC=C(C=C1)C)CC(=N)NO |
| Synonyms | 61239-35-8,
3-(Hydroxyamino)-3-imino-N-(p-tolyl)propanamide,
AC1MK6BY,
ChemDiv2_001338,
CTK8F3666,
AKOS030751084,
3-amino-3-hydroxyimino-N-(4-methylphenyl)propanamide,
Propanamide,3-(hydroxyamino)-3-imino-N-(4-methylphenyl)-,
ZINC03886458,
CID3151232,
2-(N-Hydroxycarbamimidoyl)-N-p-tolyl-acetamide,
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| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.233g/mol |
| Monoisotopic Mass | 207.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number