| CAS Number | 131816-47-2 |
| Catalog Number | AG01AL8F |
| Chemical Name | 2-Amino-1H-indole-3-carbonitrile |
| IUPAC Name | 2-amino-1H-indole-3-carbonitrile |
| InChI | InChI=1S/C9H7N3/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,12H,11H2 |
| InChI Key | VUJHHCISRCAVOU-UHFFFAOYSA-N |
| MDL Number | MFCD02257781 |
| Molecular Formula | C9H7N3 |
| Molecular Weight | 157.1720 |
| SMILES | NC1=C(C#N)C2=C(C=CC=C2)N1 |
| Synonyms | 2-amino-1H-indole-3-carbonitrile,
131816-47-2,
1H-Indole-3-carbonitrile, 2-amino-,
3-cyano-2-aminoindole,
SCHEMBL5858501,
ZINC19503198,
AKOS000187418,
2-Amino-1H-indole-3-carboxylic acid; Nitrile,
Z2182115413,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.176g/mol |
| Monoisotopic Mass | 157.064g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 65.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number