| CAS Number | 938321-02-9 |
| Catalog Number | AG01AACN |
| Chemical Name | {4-[2-(4-chlorophenoxy)ethoxy]phenyl}methanamine |
| IUPAC Name | [4-[2-(4-chlorophenoxy)ethoxy]phenyl]methanamine |
| InChI | InChI=1S/C15H16ClNO2/c16-13-3-7-15(8-4-13)19-10-9-18-14-5-1-12(11-17)2-6-14/h1-8H,9-11,17H2 |
| InChI Key | KFODYPZAKRKVNU-UHFFFAOYSA-N |
| MDL Number | MFCD09715428 |
| Molecular Formula | C15H16ClNO2 |
| Molecular Weight | 277.7460 |
| SMILES | NCC1=CC=C(OCCOC2=CC=C(Cl)C=C2)C=C1 |
| Synonyms | {4-[2-(4-chlorophenoxy)ethoxy]phenyl}methanamine,
938321-02-9,
AC1Q5405,
ZINC11949882,
AKOS009559297,
MCULE-6920342550,
NE35089,
EN300-68215,
Z1263602400,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.748g/mol |
| Monoisotopic Mass | 277.087g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number