| CAS Number | 1588441-19-3 |
| Catalog Number | AG00ASMS(AGN-PC-0WAZAD) |
| Chemical Name | 2-Aminopyrimidine-5-carbaldehyde hydrate |
| IUPAC Name | 2-aminopyrimidine-5-carbaldehyde;hydrate |
| InChI | InChI=1S/C5H5N3O.H2O/c6-5-7-1-4(3-9)2-8-5;/h1-3H,(H2,6,7,8);1H2 |
| InChI Key | PHVPVNJOQMPONA-UHFFFAOYSA-N |
| MDL Number | MFCD23703063 |
| Molecular Formula | C5H7N3O2 |
| Molecular Weight | 141.1280 |
| SMILES | O=CC1(=CN=C(N)N=C1).O |
| Synonyms | 2-Aminopyrimidine-5-carbaldehyde hydrate,
1588441-19-3,
AK118712,
KS-00000QZA,
MFCD23703063,
AKOS016011560,
DS-2843,
AX8244013,
ST2416467,
M-9540,
|
| Complexity | 98.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.13g/mol |
| Monoisotopic Mass | 141.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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