| CAS Number | 1049744-24-2 |
| Catalog Number | AG00949M(AGN-PC-0WA79T) |
| Chemical Name | 3'-Amino-[1,1'-biphenyl]-3-carbonitrile hydrochloride |
| IUPAC Name | 3-(3-aminophenyl)benzonitrile;hydrochloride |
| InChI | InChI=1S/C13H10N2.ClH/c14-9-10-3-1-4-11(7-10)12-5-2-6-13(15)8-12;/h1-8H,15H2;1H |
| InChI Key | NYOUTQMBXQFWJN-UHFFFAOYSA-N |
| MDL Number | MFCD06656006 |
| Molecular Formula | C13H11ClN2 |
| Molecular Weight | 230.6928 |
| SMILES | N#Cc1cccc(c1)c1cccc(c1)N.Cl |
| Synonyms | 1049744-24-2,
3-(3-aminophenyl)benzonitrile Hydrochloride,
3-(3-Aminophenyl)benzonitrile, HCl,
3-(3-Aminophenyl)benzonitrile HCl,
3'-amino-biphenyl-3-carbonitrile hydrochloride,
3'-Amino-[1,1'-biphenyl]-3-carbonitrile hydrochloride,
AC1MBTDH,
3'-Aminobiphenyl-3-carbonitrile hydrochloride,
CTK7C8440,
MFCD06656006,
Z6777,
3'-Amino-biphenyl-3-carbonitrilehydrochloride,
3'-amino-biphenyl-3-carbonitrile, hydrochloride,
C13H10N2.HCl,
CID2756352,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.695g/mol |
| Monoisotopic Mass | 230.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number