| CAS Number | 1210893-58-5 |
| Catalog Number | AG00VWQI(AGN-PC-0WBL2F) |
| Chemical Name | [4-(4-CHLOROPHENYL)OXAN-4-YL]METHANAMINE HYDROCHLORIDE |
| IUPAC Name | [4-(4-chlorophenyl)oxan-4-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C12H16ClNO.ClH/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12;/h1-4H,5-9,14H2;1H |
| InChI Key | IFEDKQOCMHFIRT-UHFFFAOYSA-N |
| MDL Number | MFCD11043049 |
| Molecular Formula | C12H17Cl2NO |
| Molecular Weight | 262.1755 |
| SMILES | Cl.NCC1(C2=CC=C(Cl)C=C2)CCOCC1 |
| Synonyms | 1210893-58-5,
[4-(4-chlorophenyl)oxan-4-yl]methanamine hydrochloride,
(4-(4-Chlorophenyl)tetrahydro-2H-pyran-4-yl)methanamine hydrochloride,
[4-(4-Chlorophenyl)oxan-4-yl]methanaminehydrochloride,
AC1Q3D5L,
AKOS015949168,
KS-7822,
MCULE-8773353702,
NE24447,
EN300-54225,
Z815264082,
|
| Complexity | 196 |
| 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