| CAS Number | 1185435-02-2 |
| Catalog Number | AG00J3AP(AGN-PC-0WB6RR) |
| Chemical Name | N-Methyl-1-(5-methyl-1H-indol-3-yl)methanamine formate |
| IUPAC Name | formic acid;N-methyl-1-(5-methyl-1H-indol-3-yl)methanamine |
| InChI | InChI=1S/C11H14N2.CH2O2/c1-8-3-4-11-10(5-8)9(6-12-2)7-13-11;2-1-3/h3-5,7,12-13H,6H2,1-2H3;1H,(H,2,3) |
| InChI Key | BDIXQJWNYSATGC-UHFFFAOYSA-N |
| MDL Number | MFCD22383954 |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.2676 |
| SMILES | C1(C2C=C(C)C=CC=2NC=1)CNC.C(O)=O |
| Synonyms | 1185435-02-2,
N-Methyl-1-(5-methyl-1H-indol-3-yl)methanamine formate,
ZX-CM014204,
MFCD06738856,
AKOS027426102,
Formic acid-N-methyl-1-(5-methyl-1H-indol-3-yl)methanamine (1:1),
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.272g/mol |
| Monoisotopic Mass | 220.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number