| CAS Number | 954578-48-4 |
| Catalog Number | AG019N9R |
| Chemical Name | [4-(1-aminoethyl)phenyl]urea |
| IUPAC Name | [4-(1-aminoethyl)phenyl]urea |
| InChI | InChI=1S/C9H13N3O/c1-6(10)7-2-4-8(5-3-7)12-9(11)13/h2-6H,10H2,1H3,(H3,11,12,13) |
| InChI Key | JAKQIIOIZBBZSL-UHFFFAOYSA-N |
| MDL Number | MFCD09742550 |
| Molecular Formula | C9H13N3O |
| Molecular Weight | 179.2190 |
| SMILES | CC(C1=CC=C(NC(N)=O)C=C1)N |
| Synonyms | [4-(1-aminoethyl)phenyl]urea,
N-[4-(1-aminoethyl)phenyl]urea,
954578-48-4,
AC1Q2B8H,
CTK7D3532,
AKOS000149560,
AKOS022476096,
MCULE-3343762338,
NE26374,
EN300-39765,
Z406680072,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.223g/mol |
| Monoisotopic Mass | 179.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number