| CAS Number | 1881328-68-2 |
| Catalog Number | AG00I2HN(AGN-PC-0WQWLX) |
| Chemical Name | 2,3-Diaminobenzonitrile hydrochloride |
| IUPAC Name | 2,3-diaminobenzonitrile;hydrochloride |
| InChI | InChI=1S/C7H7N3.ClH/c8-4-5-2-1-3-6(9)7(5)10;/h1-3H,9-10H2;1H |
| InChI Key | IZFGJGQBGKICHW-UHFFFAOYSA-N |
| MDL Number | MFCD29043324 |
| Molecular Formula | C7H8ClN3 |
| Molecular Weight | 169.6115 |
| SMILES | Cl.NC1=C(N)C(C#N)=CC=C1 |
| Synonyms | 2,3-Diaminobenzonitrile hydrochloride,
1881328-68-2,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.612g/mol |
| Monoisotopic Mass | 169.041g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 75.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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