| CAS Number | 126993-23-5 |
| Catalog Number | AG019MAA(AGN-PC-0WOW6Q) |
| Chemical Name | 5-(hydroxyimino)-7,7-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine |
| IUPAC Name | N-(2-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-ylidene)hydroxylamine |
| InChI | InChI=1S/C10H14N4O/c1-10(2)3-7-6(8(4-10)14-15)5-12-9(11)13-7/h5,15H,3-4H2,1-2H3,(H2,11,12,13) |
| InChI Key | GKKRBDVJQSQYFT-UHFFFAOYSA-N |
| MDL Number | MFCD11833094 |
| Molecular Formula | C10H14N4O |
| Molecular Weight | 206.2444 |
| SMILES | CC1(CC2=C(C=NC(=N2)N)C(=NO)C1)C |
| Synonyms | 5-(hydroxyimino)-7,7-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine,
126993-23-5,
CTK7F2452,
ZINC389205696,
MCULE-5817467848,
Z367452250,
(5Z)-2-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one oxime,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.249g/mol |
| Monoisotopic Mass | 206.117g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 84.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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