| CAS Number | 95426-77-0 |
| Catalog Number | AG006DE4(AGN-PC-0W50NC) |
| Chemical Name | 2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethanamine hydrochloride |
| IUPAC Name | 2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C18H20N2O2.ClH/c1-21-17-9-5-7-13(18(17)22-2)14(10-19)15-11-20-16-8-4-3-6-12(15)16;/h3-9,11,14,20H,10,19H2,1-2H3;1H |
| InChI Key | PBAHQPMOTZRVCR-UHFFFAOYSA-N |
| MDL Number | MFCD07285752 |
| Molecular Formula | C18H20N2O2 |
| Molecular Weight | 296.3636 |
| SMILES | COC1=C(OC)C(C(C2C3=C(C=CC=C3)NC=2)CN)=CC=C1 |
| Synonyms | 2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethanamine hydrochloride,
95426-77-0,
2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethan-1-amine hydrochloride,
EN300-08736,
1049752-42-2,
AC1Q3C40,
CTK8F3513,
DTXSID90585871,
AKOS027379179,
MCULE-2372891011,
SR-01000047209,
SR-01000047209-1,
Z56945435,
2-(2,3-Dimethoxyphenyl)-2-(1H-indol-3-yl)ethan-1-amine--hydrogen chloride (1/1),
|
| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.828g/mol |
| Monoisotopic Mass | 332.129g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number