| CAS Number | 13173-07-4 |
| Catalog Number | AG01DV96(AGN-PC-0NEWGR) |
| Chemical Name | 1-(3-Aminopropyl)-1,3-diazinan-2-one |
| IUPAC Name | 1-(3-aminopropyl)-1,3-diazinan-2-one |
| InChI | InChI=1S/C7H15N3O/c8-3-1-5-10-6-2-4-9-7(10)11/h1-6,8H2,(H,9,11) |
| InChI Key | HQXKCSSNQJUVML-UHFFFAOYSA-N |
| MDL Number | MFCD16703069 |
| Molecular Formula | C7H15N3O |
| Molecular Weight | 157.2135 |
| SMILES | NCCCN1C(=O)NCCC1 |
| Synonyms | 1-(3-aminopropyl)-1,3-diazinan-2-one,
13173-07-4,
1-(3-aminopropyl)tetrahydro-2(1h)-pyrimidinone,
SCHEMBL1421683,
HQXKCSSNQJUVML-UHFFFAOYSA-N,
ZINC51355137,
AKOS011553030,
1-(3-aminopropyl)-tetrahydro-2(1H)pyrimidinone,
CID11040953,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.217g/mol |
| Monoisotopic Mass | 157.122g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number