| CAS Number | 1339410-40-0 |
| Catalog Number | AG01DSSH(AGN-PC-0FWLP2) |
| Chemical Name | 3-amino-1-phenylcyclobutane-1-carbonitrile |
| IUPAC Name | 3-amino-1-phenylcyclobutane-1-carbonitrile |
| InChI | InChI=1S/C11H12N2/c12-8-11(6-10(13)7-11)9-4-2-1-3-5-9/h1-5,10H,6-7,13H2 |
| InChI Key | YQZXRJCLBUVOIV-UHFFFAOYSA-N |
| MDL Number | MFCD20440683 |
| Molecular Formula | C11H12N2 |
| Molecular Weight | 172.2264 |
| SMILES | NC1CC(C2=CC=CC=C2)(C#N)C1 |
| Synonyms | AKOS014235898,
3-amino-1-phenylcyclobutanecarbonitrile, Mixture of diastereomers,
1339410-40-0,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.231g/mol |
| Monoisotopic Mass | 172.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number