| CAS Number | 1258650-13-3 |
| Catalog Number | AG01AB4R |
| Chemical Name | [4-(2-Chlorophenyl)oxan-4-yl]methanamine hydrochloride |
| IUPAC Name | [4-(2-chlorophenyl)oxan-4-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C12H16ClNO.ClH/c13-11-4-2-1-3-10(11)12(9-14)5-7-15-8-6-12;/h1-4H,5-9,14H2;1H |
| InChI Key | OOMNMFQNVRSXBT-UHFFFAOYSA-N |
| MDL Number | MFCD17977062 |
| Molecular Formula | C12H17Cl2NO |
| Molecular Weight | 262.1755 |
| SMILES | Cl.NCC1(C2=C(Cl)C=CC=C2)CCOCC1 |
| Synonyms | 1258650-13-3,
[4-(2-chlorophenyl)oxan-4-yl]methanamine hydrochloride,
[4-(2-Chlorophenyl)-tetrahydro-2H-pyran-4-yl]methanamine hydrochloride,
(4-(2-Chlorophenyl)tetrahydro-2H-pyran-4-yl)methanamine hydrochloride,
AC1Q3D5J,
AKOS008151465,
KS-7946,
MCULE-7834241494,
NE25213,
EN300-70473,
Z1263820353,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.174g/mol |
| Monoisotopic Mass | 261.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number