| CAS Number | 1609401-31-1 |
| Catalog Number | AG00J3BT(AGN-PC-0WRAUA) |
| Chemical Name | [2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]amine dihydrate |
| IUPAC Name | 2-(2,6,7-trimethyl-1H-indol-3-yl)ethanamine;dihydrate |
| InChI | InChI=1S/C13H18N2.2H2O/c1-8-4-5-12-11(6-7-14)10(3)15-13(12)9(8)2;;/h4-5,15H,6-7,14H2,1-3H3;2*1H2 |
| InChI Key | RDYXHQJAGITSHO-UHFFFAOYSA-N |
| MDL Number | MFCD02656482 |
| Molecular Formula | C13H22N2O2 |
| Molecular Weight | 238.3260 |
| SMILES | NCCc1c(C)[nH]c2c1ccc(c2C)C.O.O |
| Synonyms | [2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]amine dihydrate,
1609401-31-1,
ZX-CM014344,
MFCD28024822,
2-(2,6,7-Trimethyl-1H-indol-3-yl)ethanamine dihydrate,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| 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 | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.331g/mol |
| Monoisotopic Mass | 238.168g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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