| CAS Number | 98323-95-6 |
| Catalog Number | AG01BBCE(AGN-PC-0N8BIA) |
| Chemical Name | methyl 3-((dimethylamino)methyl)-1H-indole-5-carboxylate |
| IUPAC Name | methyl 3-[(dimethylamino)methyl]-1H-indole-5-carboxylate |
| InChI | InChI=1S/C13H16N2O2/c1-15(2)8-10-7-14-12-5-4-9(6-11(10)12)13(16)17-3/h4-7,14H,8H2,1-3H3 |
| InChI Key | KSWIFIALOGPLMM-UHFFFAOYSA-N |
| MDL Number | MFCD28384373 |
| Molecular Formula | C13H16N2O2 |
| Molecular Weight | 232.2783 |
| SMILES | CN(C)CC1=CNC2=CC=C(C=C12)C(=O)OC |
| Synonyms | methyl 3-((dimethylamino)methyl)-1H-indole-5-carboxylate,
98323-95-6,
methyl 3-[(dimethylamino)methyl]-1H-indole-5-carboxylate,
SCHEMBL2992516,
KSWIFIALOGPLMM-UHFFFAOYSA-N,
ZINC39150668,
3-Dimethylaminomethyl-1H-indole-5-carboxylic acid methyl ester,
CID10657204,
Methyl 3-(dimethylaminomethyl)-1H-indole-5-carboxylate,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.121178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.28g/mol |
| Monoisotopic Mass | 232.121178g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 45.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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