| CAS Number | 2034154-05-5 |
| Catalog Number | AG01E8C1 |
| Chemical Name | 5-(aminomethyl)-1-cyclopropyl-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride |
| IUPAC Name | 5-(aminomethyl)-1-cyclopropylpyrimidine-2,4-dione;hydrochloride |
| InChI | InChI=1S/C8H11N3O2.ClH/c9-3-5-4-11(6-1-2-6)8(13)10-7(5)12;/h4,6H,1-3,9H2,(H,10,12,13);1H |
| InChI Key | WIPADYPCJZNLIV-UHFFFAOYSA-N |
| MDL Number | MFCD30004487 |
| Molecular Formula | C8H12ClN3O2 |
| Molecular Weight | 217.6528 |
| SMILES | Cl.NCC1C(=O)NC(=O)N(C2CC2)C=1 |
| Synonyms | 5-(aminomethyl)-1-cyclopropyl-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride,
AKOS026681544,
F2185-0493,
Z2798585995,
5-(aminomethyl)-1-cyclopropylpyrimidine-2,4(1H,3H)-dione hydrochloride,
2034154-05-5,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.653g/mol |
| Monoisotopic Mass | 217.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number