| CAS Number | 1250659-48-3 |
| Catalog Number | AG019UKP |
| Chemical Name | 1-[4-(1-aminoethyl)phenyl]-3-cyclopropylurea |
| IUPAC Name | 1-[4-(1-aminoethyl)phenyl]-3-cyclopropylurea |
| InChI | InChI=1S/C12H17N3O/c1-8(13)9-2-4-10(5-3-9)14-12(16)15-11-6-7-11/h2-5,8,11H,6-7,13H2,1H3,(H2,14,15,16) |
| InChI Key | PSYRJALPHDWLAG-UHFFFAOYSA-N |
| MDL Number | MFCD14631655 |
| Molecular Formula | C12H17N3O |
| Molecular Weight | 219.2829 |
| SMILES | CC(C1=CC=C(NC(NC2CC2)=O)C=C1)N |
| Synonyms | 1-[4-(1-aminoethyl)phenyl]-3-cyclopropylurea,
1250659-48-3,
AKOS009505443,
MCULE-4414073073,
NE18229,
EN300-41975,
Z1259155991,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.288g/mol |
| Monoisotopic Mass | 219.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number