| CAS Number | 1156289-16-5 |
| Catalog Number | AG01ADJB(AGN-PC-0WO47R) |
| Chemical Name | 3-(2-Bromophenyl)cyclobutan-1-amine |
| IUPAC Name | 3-(2-bromophenyl)cyclobutan-1-amine |
| InChI | InChI=1S/C10H12BrN/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7-8H,5-6,12H2 |
| InChI Key | LNVHKYTUWGMIFR-UHFFFAOYSA-N |
| MDL Number | MFCD12097696 |
| Molecular Formula | C10H12BrN |
| Molecular Weight | 226.113 |
| SMILES | NC1CC(C2=C(Br)C=CC=C2)C1 |
| Synonyms | 1156289-16-5,
SCHEMBL17892133,
ZINC36840697,
3-(2-bromophenyl)cyclobutan-1-amine,
AKOS009826400,
3-(2-bromophenyl)cyclobutan-1-amine, Mixture of diastereomers,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.117g/mol |
| Monoisotopic Mass | 225.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number