| CAS Number | 1310964-83-0 |
| Catalog Number | AG01AJ2J(AGN-PC-0WORYV) |
| Chemical Name | 1-(4-Aminobutyl)urea hydrochloride |
| IUPAC Name | 4-aminobutylurea;hydrochloride |
| InChI | InChI=1S/C5H13N3O.ClH/c6-3-1-2-4-8-5(7)9;/h1-4,6H2,(H3,7,8,9);1H |
| InChI Key | LRLBYNXGTCDIHF-UHFFFAOYSA-N |
| MDL Number | MFCD19382029 |
| Molecular Formula | C5H14ClN3O |
| Molecular Weight | 167.6372 |
| SMILES | Cl.NCCCCNC(=O)N |
| Synonyms | (4-aminobutyl)urea hydrochloride,
1310964-83-0,
EN300-79606,
1-(4-aminobutyl)urea hydrochloride,
AKOS005217020,
F8887-7631,
|
| Complexity | 84.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.637g/mol |
| Monoisotopic Mass | 167.083g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number