| CAS Number | 1094544-07-6 |
| Catalog Number | AG01A7OG |
| Chemical Name | 2-(5-amino-1H-indol-1-yl)-N,N-dimethylacetamide |
| IUPAC Name | 2-(5-aminoindol-1-yl)-N,N-dimethylacetamide |
| InChI | InChI=1S/C12H15N3O/c1-14(2)12(16)8-15-6-5-9-7-10(13)3-4-11(9)15/h3-7H,8,13H2,1-2H3 |
| InChI Key | DTDDBXVRHQWLJH-UHFFFAOYSA-N |
| MDL Number | MFCD11213952 |
| Molecular Formula | C12H15N3O |
| Molecular Weight | 217.2670 |
| SMILES | CN(C(CN1C2=C(C=C(C=C2)N)C=C1)=O)C |
| Synonyms | 2-(5-amino-1H-indol-1-yl)-N,N-dimethylacetamide,
1094544-07-6,
AC1Q3VZQ,
CTK7D8439,
ZINC36949982,
AKOS009351895,
MCULE-4243176068,
NE49403,
EN300-59342,
Z951367846,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.272g/mol |
| Monoisotopic Mass | 217.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number