| CAS Number | 743456-85-1 |
| Catalog Number | AG00396D(AGN-PC-0WCB97) |
| Chemical Name | 2-(4-bromophenoxy)-N-methylethanamine |
| IUPAC Name | 2-(4-bromophenoxy)-N-methylethanamine |
| InChI | InChI=1S/C9H12BrNO/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3 |
| InChI Key | KBQNXQWMKSFFKY-UHFFFAOYSA-N |
| MDL Number | MFCD05264059 |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.1017 |
| SMILES | CNCCOC1=CC=C(Br)C=C1 |
| Synonyms | N-[2-(4-bromophenoxy)ethyl]-N-methylamine,
743456-85-1,
2-(4-bromophenoxy)-N-methylethanamine,
[2-(4-bromophenoxy)ethyl](methyl)amine,
AC1Q41BC,
AC1M22O1,
SCHEMBL7767418,
CTK6I5695,
DTXSID90366728,
ZINC2725741,
9083AE,
MFCD05264059,
AKOS005261838,
AM87169,
MCULE-1769461316,
NE56374,
EN300-09181,
Z55993065,
C9H12BrNO,
CID2160989,
2-(4-bromophenoxy)-N-methyl-ethanamine,
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| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.105g/mol |
| Monoisotopic Mass | 229.01g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number