| CAS Number | 1244030-95-2 |
| Catalog Number | AG01AA59 |
| Chemical Name | (3-{2-[(2-methoxyethyl)(methyl)amino]ethoxy}phenyl)methanamine |
| IUPAC Name | N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-methoxy-N-methylethanamine |
| InChI | InChI=1S/C13H22N2O2/c1-15(6-8-16-2)7-9-17-13-5-3-4-12(10-13)11-14/h3-5,10H,6-9,11,14H2,1-2H3 |
| InChI Key | IAKJCITZTMGIJX-UHFFFAOYSA-N |
| MDL Number | MFCD13488589 |
| Molecular Formula | C13H22N2O2 |
| Molecular Weight | 238.3260 |
| SMILES | COCCN(CCOC1=CC(CN)=CC=C1)C |
| Synonyms | (3-{2-[(2-methoxyethyl)(methyl)amino]ethoxy}phenyl)methanamine,
1244030-95-2,
AC1Q4FV6,
ZINC42458450,
AKOS010688315,
MCULE-9971035668,
NE46728,
EN300-67103,
Z1263529740,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.331g/mol |
| Monoisotopic Mass | 238.168g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 47.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number