| CAS Number | 1221791-84-9 |
| Catalog Number | AG00IRMP(AGN-PC-0WAXWS) |
| Chemical Name | 8-Amino-6,7-diazaspiro[3.4]oct-7-en-5-one |
| IUPAC Name | 5-amino-6,7-diazaspiro[3.4]oct-5-en-8-one |
| InChI | InChI=1S/C6H9N3O/c7-4-6(2-1-3-6)5(10)9-8-4/h1-3H2,(H2,7,8)(H,9,10) |
| InChI Key | XYLDQKUMKZCVCZ-UHFFFAOYSA-N |
| MDL Number | MFCD16140329 |
| Molecular Formula | C6H9N3O |
| Molecular Weight | 139.1552 |
| SMILES | NC1C2(CCC2)C(=O)NN=1 |
| Synonyms | 8-amino-6,7-diazaspiro[3.4]oct-7-en-5-one,
1221791-84-9,
aminodiazaspirooctenone,
CTK7H6630,
MFCD16140329,
SBB086076,
ZINC43827608,
AKOS005071639,
AE-0756,
MCULE-3507693625,
RP09806,
KS-0000222L,
AJ-108841,
TR-071094,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.158g/mol |
| Monoisotopic Mass | 139.075g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 67.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
Lot Number