| CAS Number | 1036990-31-4 |
| Catalog Number | AG00ILOR(AGN-PC-0WOUJO) |
| Chemical Name | N-(3-bromophenyl)oxan-4-amine |
| IUPAC Name | N-(3-bromophenyl)oxan-4-amine |
| InChI | InChI=1S/C11H14BrNO/c12-9-2-1-3-11(8-9)13-10-4-6-14-7-5-10/h1-3,8,10,13H,4-7H2 |
| InChI Key | WQWUSTYJQOYFIF-UHFFFAOYSA-N |
| MDL Number | MFCD12087567 |
| Molecular Formula | C11H14BrNO |
| Molecular Weight | 256.1390 |
| SMILES | Brc1cccc(c1)NC1CCOCC1 |
| Synonyms | N-(3-bromophenyl)oxan-4-amine,
1036990-31-4,
SCHEMBL3323461,
WQWUSTYJQOYFIF-UHFFFAOYSA-N,
ZINC36304026,
AKOS009624268,
CS-0048852,
(3-Bromo-phenyl)-(tetrahydro-pyran-4-yl)-amine,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.143g/mol |
| Monoisotopic Mass | 255.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number