| CAS Number | 1311925-76-4 |
| Catalog Number | AG01ACU8 |
| Chemical Name | 1-cycloheptyl-3-(prop-2-yn-1-yl)urea |
| IUPAC Name | 1-cycloheptyl-3-prop-2-ynylurea |
| InChI | InChI=1S/C11H18N2O/c1-2-9-12-11(14)13-10-7-5-3-4-6-8-10/h1,10H,3-9H2,(H2,12,13,14) |
| InChI Key | ZNTMYDUGIBVYOV-UHFFFAOYSA-N |
| MDL Number | MFCD26936131 |
| Molecular Formula | C11H18N2O |
| Molecular Weight | 194.2734 |
| SMILES | O=C(NC1CCCCCC1)NCC#C |
| Synonyms | 1-cycloheptyl-3-(prop-2-yn-1-yl)urea,
1311925-76-4,
ZINC69431570,
AKOS033764173,
FCH2420980,
MCULE-8372605499,
EN300-140769,
Z211818760,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.278g/mol |
| Monoisotopic Mass | 194.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number