| CAS Number | 1544572-53-3 |
| Catalog Number | AG01BA39 |
| Chemical Name | trans-4-(2-Propyn-1-yloxy)cyclohexanamine |
| IUPAC Name | 4-prop-2-ynoxycyclohexan-1-amine |
| InChI | InChI=1S/C9H15NO/c1-2-7-11-9-5-3-8(10)4-6-9/h1,8-9H,3-7,10H2 |
| InChI Key | AIDBOFSMCNCKEW-UHFFFAOYSA-N |
| MDL Number | MFCD26737580 |
| Molecular Formula | C9H15NO |
| Molecular Weight | 153.2215 |
| SMILES | O(CC#C)[C@H]1CC[C@H](N)CC1 |
| Synonyms | 4-(prop-2-yn-1-yloxy)cyclohexan-1-amine,
1343386-70-8,
ZINC55142956,
AKOS012103138,
AKOS023761798,
ZINC238833236,
4-(prop-2-yn-1-yloxy)cyclohexan-1-amine, trans,
1544572-53-3,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.225g/mol |
| Monoisotopic Mass | 153.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number