| CAS Number | 120998-52-9 |
| Catalog Number | AG009LRK(AGN-PC-0PFDX2) |
| Chemical Name | [2-(3-methoxyphenoxy)ethyl](methyl)amine |
| IUPAC Name | 2-(3-methoxyphenoxy)-N-methylethanamine |
| InChI | InChI=1S/C10H15NO2/c1-11-6-7-13-10-5-3-4-9(8-10)12-2/h3-5,8,11H,6-7H2,1-2H3 |
| InChI Key | LEEHBTUHIYEAQL-UHFFFAOYSA-N |
| MDL Number | MFCD08691920 |
| Molecular Formula | C10H15NO2 |
| Molecular Weight | 181.2316 |
| SMILES | C1C(=CC=CC=1OC)OCCNC |
| Synonyms | 2-(3-Methoxyphenoxy)-N-methylethanamine,
120998-52-9,
[2-(3-METHOXYPHENOXY)ETHYL](METHYL)AMINE,
SCHEMBL6651953,
CTK4B2133,
DTXSID60591545,
CHEMBRDG-BB 9071067,
ZX-CM018077,
MFCD08691920,
ZINC15014483,
AKOS000343451,
AJ-66723,
DA-18517,
2-(3-Methoxyphenoxy)-N-methylethan-1-amine,
FT-0758435,
Y-4558,
2-(3-Methoxyphenoxy)-N-methylethanamine, AldrichCPR,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.235g/mol |
| Monoisotopic Mass | 181.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H302-H319
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number