| CAS Number | 1017450-92-8 |
| Catalog Number | AG019X0S(AGN-PC-0WOA45) |
| Chemical Name | [4-(3-CHLOROPHENYL)OXAN-4-YL]METHANAMINE |
| IUPAC Name | [4-(3-chlorophenyl)oxan-4-yl]methanamine |
| InChI | InChI=1S/C12H16ClNO/c13-11-3-1-2-10(8-11)12(9-14)4-6-15-7-5-12/h1-3,8H,4-7,9,14H2 |
| InChI Key | MCNMFDXKDMPQQI-UHFFFAOYSA-N |
| MDL Number | MFCD09904047 |
| Molecular Formula | C12H16ClNO |
| Molecular Weight | 225.7145 |
| SMILES | ClC=1C=C(C=CC1)C1(CCOCC1)CN |
| Synonyms | 1017450-92-8,
[4-(3-chlorophenyl)oxan-4-yl]methanamine,
[4-(3-Chlorophenyl)-tetrahydro-2H-pyran-4-yl]methanamine,
(4-(3-Chlorophenyl)tetrahydro-2H-pyran-4-yl)methanamine,
AC1Q53QI,
SCHEMBL15057062,
ZINC11884129,
AKOS009264986,
KS-7947,
MCULE-2713261824,
NE14597,
EN300-53740,
Z1259341097,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.716g/mol |
| Monoisotopic Mass | 225.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number