| CAS Number | 1049873-63-3 |
| Catalog Number | AG019ME5(AGN-PC-0WOQVH) |
| Chemical Name | 5-(hydroxyimino)-5,6,7,8-tetrahydroquinazolin-2-amine |
| IUPAC Name | N-(2-amino-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine |
| InChI | InChI=1S/C8H10N4O/c9-8-10-4-5-6(11-8)2-1-3-7(5)12-13/h4,13H,1-3H2,(H2,9,10,11) |
| InChI Key | JUNJPHQJUHIBMI-UHFFFAOYSA-N |
| MDL Number | MFCD26143805 |
| Molecular Formula | C8H10N4O |
| Molecular Weight | 178.1912 |
| SMILES | NC1=NC2=C(C(CCC2)=NO)C=N1 |
| Synonyms | 5-(hydroxyimino)-5,6,7,8-tetrahydroquinazolin-2-amine,
1049873-63-3,
CTK7F2354,
(5E)-2-amino-7,8-dihydroquinazolin-5(6H)-one oxime,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.195g/mol |
| Monoisotopic Mass | 178.085g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 84.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.2 |
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Certificate of Analysis
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