| CAS Number | 1017450-84-8 |
| Catalog Number | AG01A8TC(AGN-PC-0WO0S9) |
| Chemical Name | 4-(4-CHLOROPHENYL)TETRAHYDRO-2H-PYRAN-4-AMINE |
| IUPAC Name | 4-(4-chlorophenyl)oxan-4-amine |
| InChI | InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(13)5-7-14-8-6-11/h1-4H,5-8,13H2 |
| InChI Key | IQQJXGCJVZABIF-UHFFFAOYSA-N |
| MDL Number | MFCD09904027 |
| Molecular Formula | C11H14ClNO |
| Molecular Weight | 211.6880 |
| SMILES | NC1(C2=CC=C(Cl)C=C2)CCOCC1 |
| Synonyms | 4-(4-chlorophenyl)oxan-4-amine,
1017450-84-8,
4-(4-CHLOROPHENYL)TETRAHYDRO-2H-PYRAN-4-AMINE,
AC1Q50GT,
SCHEMBL8155581,
ZINC11884036,
AKOS005260344,
AB54657,
MCULE-8245639644,
NE39408,
AJ-60307,
EN300-62518,
Z1262254346,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.689g/mol |
| Monoisotopic Mass | 211.076g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number