| CAS Number | 1038238-22-0 |
| Catalog Number | AG019N97 |
| Chemical Name | 1-(4-(Aminomethyl)phenyl)-3-isopropylurea |
| IUPAC Name | 1-[4-(aminomethyl)phenyl]-3-propan-2-ylurea |
| InChI | InChI=1S/C11H17N3O/c1-8(2)13-11(15)14-10-5-3-9(7-12)4-6-10/h3-6,8H,7,12H2,1-2H3,(H2,13,14,15) |
| InChI Key | ZNJVGMFALNZTSB-UHFFFAOYSA-N |
| MDL Number | MFCD11167472 |
| Molecular Formula | C11H17N3O |
| Molecular Weight | 207.2722 |
| SMILES | O=C(NC(C)C)NC1=CC=C(CN)C=C1 |
| Synonyms | 1-[4-(aminomethyl)phenyl]-3-(propan-2-yl)urea,
1038238-22-0,
N-[4-(aminomethyl)phenyl]-N'-isopropylurea,
AC1Q1Q8S,
CTK7E4871,
ZINC20209367,
AKOS009221590,
MCULE-1732231744,
NE19422,
NCGC00327433-01,
EN300-39714,
AB01322345-02,
Z425387820,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.277g/mol |
| Monoisotopic Mass | 207.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number