| CAS Number | 915922-44-0 |
| Catalog Number | AG00GVNP(AGN-PC-0WB4UF) |
| Chemical Name | 3-(4-Bromophenoxy)-N-methylpropan-1-amine oxalate |
| IUPAC Name | 3-(4-bromophenoxy)-N-methylpropan-1-amine |
| InChI | InChI=1S/C10H14BrNO/c1-12-7-2-8-13-10-5-3-9(11)4-6-10/h3-6,12H,2,7-8H2,1H3 |
| InChI Key | NWAAIPDSUXUPRE-UHFFFAOYSA-N |
| MDL Number | MFCD05986803 |
| Molecular Formula | C10H14BrNO |
| Molecular Weight | 244.1283 |
| SMILES | CNCCCOC1=CC=C(Br)C=C1 |
| Synonyms | 915922-44-0,
3-(4-bromophenoxy)-N-methylpropan-1-amine,
[3-(4-bromophenoxy)propyl]methylamine oxalate,
AC1M3ZJG,
DTXSID00366951,
ZINC2845102,
MFCD08691784,
AKOS009272604,
AM87429,
MCULE-7067341108,
AJ-44267,
Y-1992,
CID2199701,
3-(4-bromophenoxy)-N-methyl-propan-1-amine,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.132g/mol |
| Monoisotopic Mass | 243.026g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number