| CAS Number | 1353854-58-6 |
| Catalog Number | AG01BCO1 |
| Chemical Name | 3-Cyclobutylaniline |
| IUPAC Name | 3-cyclobutylaniline |
| InChI | InChI=1S/C10H13N/c11-10-6-2-5-9(7-10)8-3-1-4-8/h2,5-8H,1,3-4,11H2 |
| InChI Key | CJJBVKSLLOQPKD-UHFFFAOYSA-N |
| MDL Number | MFCD21099816 |
| Molecular Formula | C10H13N |
| Molecular Weight | 147.2169 |
| SMILES | NC1=CC(C2CCC2)=CC=C1 |
| Synonyms | 3-cyclobutylaniline,
1353854-58-6,
SCHEMBL18956824,
ZINC72193160,
AKOS015946641,
Z2177153672,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.221g/mol |
| Monoisotopic Mass | 147.105g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number