| CAS Number | 57421-72-4 |
| Catalog Number | AG019XZM(AGN-PC-0WO4OY) |
| Chemical Name | 3-Amino-1-propylurea |
| IUPAC Name | 1-amino-3-propylurea |
| InChI | InChI=1S/C4H11N3O/c1-2-3-6-4(8)7-5/h2-3,5H2,1H3,(H2,6,7,8) |
| InChI Key | JVQWYTBVNPMEAH-UHFFFAOYSA-N |
| MDL Number | MFCD11212727 |
| Molecular Formula | C4H11N3O |
| Molecular Weight | 117.1496 |
| SMILES | CCCNC(NN)=O |
| Synonyms | 3-amino-1-propylurea,
1-amino-3-propylurea,
57421-72-4,
4-n-Propyl-semicarbazid,
4-Propylsemicarbazide,
AC1Q2Y2X,
SCHEMBL6278791,
CTK6E5336,
ZINC36948151,
AKOS009343354,
NE41444,
EN300-56485,
|
| Complexity | 73.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 117.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 117.152g/mol |
| Monoisotopic Mass | 117.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number