| CAS Number | 1152568-20-1 |
| Catalog Number | AG01A9B3(AGN-PC-0WODR6) |
| Chemical Name | (4-(4-Bromophenyl)tetrahydro-2H-pyran-4-yl)methanamine |
| IUPAC Name | [4-(4-bromophenyl)oxan-4-yl]methanamine |
| InChI | InChI=1S/C12H16BrNO/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12/h1-4H,5-9,14H2 |
| InChI Key | NOOHKMQVCGPKJX-UHFFFAOYSA-N |
| MDL Number | MFCD10692770 |
| Molecular Formula | C12H16BrNO |
| Molecular Weight | 270.1655 |
| SMILES | NCC1(C2=CC=C(Br)C=C2)CCOCC1 |
| Synonyms | [4-(4-bromophenyl)oxan-4-yl]methanamine,
1152568-20-1,
(4-(4-Bromophenyl)tetrahydro-2H-pyran-4-yl)methanamine,
AC1Q53QK,
ZINC34940518,
AKOS005204957,
AB56483,
KS-7316,
MCULE-1404132122,
NE28374,
EN300-64608,
Z1262395965,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.17g/mol |
| Monoisotopic Mass | 269.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number