| CAS Number | 1094283-04-1 |
| Catalog Number | AG019W68(AGN-PC-0WODQV) |
| Chemical Name | 4-(4-bromophenyl)oxan-4-amine |
| IUPAC Name | 4-(4-bromophenyl)oxan-4-amine |
| InChI | InChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(13)5-7-14-8-6-11/h1-4H,5-8,13H2 |
| InChI Key | SNAASDIFHZQJTQ-UHFFFAOYSA-N |
| MDL Number | MFCD11186108 |
| Molecular Formula | C11H14BrNO |
| Molecular Weight | 256.1390 |
| SMILES | C1COCCC1(C2=CC=C(C=C2)Br)N |
| Synonyms | 4-(4-bromophenyl)oxan-4-amine,
1094283-04-1,
4-(4-BROMOPHENYL)TETRAHYDRO-2H-PYRAN-4-AMINE,
AC1Q50GS,
SCHEMBL9966563,
CTK7D5129,
ZINC36379674,
AKOS009321779,
AB63746,
MCULE-9894514848,
NE39592,
EN300-50665,
Z752370834,
|
| Complexity | 184 |
| 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 | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number