| CAS Number | 3468-22-2 |
| Catalog Number | AG01BDVS(AGN-PC-0WOT92) |
| Chemical Name | [(1H-indol-4-yl)methyl](methyl)amine |
| IUPAC Name | 1-(1H-indol-4-yl)-N-methylmethanamine |
| InChI | InChI=1S/C10H12N2/c1-11-7-8-3-2-4-10-9(8)5-6-12-10/h2-6,11-12H,7H2,1H3 |
| InChI Key | DPXOSZVHVILMJI-UHFFFAOYSA-N |
| MDL Number | MFCD09455186 |
| Molecular Formula | C10H12N2 |
| Molecular Weight | 160.2157 |
| SMILES | CNCC1=C2C(NC=C2)=CC=C1 |
| Synonyms | (1H-indol-4-ylmethyl)(methyl)amine,
1-(1H-indol-4-yl)-N-methylmethanamine,
3468-22-2,
94980-84-4,
1H-Indole-4-methanamine, N-methyl-,
4-methylaminomethylindole,
SCHEMBL1254542,
DTXSID40500973,
DPXOSZVHVILMJI-UHFFFAOYSA-N,
(1H-indol-4-ylmethyl)-methyl-amine,
BBL037250,
STL495627,
ZINC15423546,
(1H-indol-4-yl)-N-methylmethanamine,
AKOS004119793,
NE40580,
1h-indole-4-ethanamine,n-methyl-,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.22g/mol |
| Monoisotopic Mass | 160.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 27.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number