| CAS Number | 915922-98-4 |
| Catalog Number | AG006GJ9(AGN-PC-0WB4ZE) |
| Chemical Name | 3-(2-Ethylphenoxy)-N-methyl-1-propanamine |
| IUPAC Name | 3-(2-ethylphenoxy)-N-methylpropan-1-amine |
| InChI | InChI=1S/C12H19NO/c1-3-11-7-4-5-8-12(11)14-10-6-9-13-2/h4-5,7-8,13H,3,6,9-10H2,1-2H3 |
| InChI Key | KXCPWLCGTFYYIM-UHFFFAOYSA-N |
| MDL Number | MFCD08691868 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | C1(=CC=CC=C1CC)OCCCNC |
| Synonyms | 915922-98-4,
3-(2-ETHYLPHENOXY)-N-METHYL-1-PROPANAMINE,
3-(2-Ethylphenoxy)-N-methylpropan-1-amine,
1-Propanamine,3-(2-ethylphenoxy)-N-methyl-,
CTK5H0065,
DTXSID00651091,
CHEMBRDG-BB 9070438,
ZX-CM017828,
MFCD08691868,
ZINC19094090,
AKOS009392796,
AJ-72319,
DA-01200,
FT-0752702,
Y-4507,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.29g/mol |
| Monoisotopic Mass | 193.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number