| CAS Number | 186551-97-3 |
| Catalog Number | AG00AS8N(AGN-PC-03GJYS) |
| Chemical Name | 3-AMino-5-Methyl-benzonitrile |
| IUPAC Name | 3-amino-5-methylbenzonitrile |
| InChI | InChI=1S/C8H8N2/c1-6-2-7(5-9)4-8(10)3-6/h2-4H,10H2,1H3 |
| InChI Key | UNPIGVYJSNRGBR-UHFFFAOYSA-N |
| MDL Number | MFCD13176491 |
| Molecular Formula | C8H8N2 |
| Molecular Weight | 132.1625 |
| SMILES | N#CC1=CC(C)=CC(N)=C1 |
| Synonyms | 3-AMINO-5-METHYLBENZONITRILE,
186551-97-3,
3-AMino-5-Methyl-benzonitrile,
SCHEMBL1639085,
Benzonitrile,3-amino-5-methyl-,
DTXSID90618739,
UNPIGVYJSNRGBR-UHFFFAOYSA-N,
MFCD13176491,
ZINC72266048,
AKOS006335608,
AJ-120873,
Z2240989823,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.166g/mol |
| Monoisotopic Mass | 132.069g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number