| CAS Number | 1114597-69-1 |
| Catalog Number | AG00HC5R(AGN-PC-0WC0T8) |
| Chemical Name | N-(2-Methoxyethyl)-n-[(5-methoxy-1h-indol-3-yl)methyl]amine |
| IUPAC Name | 2-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]ethanamine |
| InChI | InChI=1S/C13H18N2O2/c1-16-6-5-14-8-10-9-15-13-4-3-11(17-2)7-12(10)13/h3-4,7,9,14-15H,5-6,8H2,1-2H3 |
| InChI Key | ITPPSPYMRPRVTM-UHFFFAOYSA-N |
| MDL Number | MFCD11982917 |
| Molecular Formula | C13H18N2O2 |
| Molecular Weight | 234.2942 |
| SMILES | COCCNCC1=CNC2=CC=C(OC)C=C12 |
| Synonyms | 1114597-69-1,
N-(2-Methoxyethyl)-N-[(5-methoxy-1H-indol-3-yl)-methyl]amine,
2-Methoxy-N-((5-methoxy-1H-indol-3-yl)methyl)ethanamine,
2-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]ethanamine,
N-(2-methoxyethyl)-N-[(5-methoxy-1H-indol-3-yl)methyl]amine,
CTK7B3568,
ALBB-005148,
ZX-AN005089,
BBL012518,
MFCD11982917,
STK501607,
ZINC30714480,
AKOS005171414,
MCULE-8901149693,
TR-058680,
BB 0260110,
Y-9650,
[(5-methoxy-1H-indol-3-yl)methyl](2-methoxyethyl)amine,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.299g/mol |
| Monoisotopic Mass | 234.137g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number