| CAS Number | 565207-40-1 |
| Catalog Number | AG00ECMA(AGN-PC-0WR4KR) |
| Chemical Name | N-butyl-3-(hydroxyamino)-3-iminopropanamide |
| IUPAC Name | 3-amino-N-butyl-3-hydroxyiminopropanamide |
| InChI | InChI=1S/C7H15N3O2/c1-2-3-4-9-7(11)5-6(8)10-12/h12H,2-5H2,1H3,(H2,8,10)(H,9,11) |
| InChI Key | KYELVRYIHJBZBW-UHFFFAOYSA-N |
| MDL Number | MFCD04610461 |
| Molecular Formula | C7H15N3O2 |
| Molecular Weight | 173.2129 |
| SMILES | O=C(NCCCC)CC(NO)=N |
| Synonyms | N-Butyl-2-(N-hydroxycarbamimidoyl)-acetamide,
N-Butyl-3-(hydroxyamino)-3-iminopropanamide,
565207-40-1,
AC1M6QX2,
CTK6E2753,
CTK8G1700,
AKOS016880915,
3-amino-N-butyl-3-hydroxyiminopropanamide,
Z56928934,
ZINC03886475,
CID2453601,
N-butyl-2-(N'-hydroxycarbamimidoyl)acetamide,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.216g/mol |
| Monoisotopic Mass | 173.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number