| CAS Number | 1798696-90-8 |
| Catalog Number | AG01BDEF |
| Chemical Name | [1-(3-Chloro-2-fluorophenyl)cyclopentyl]methanamine hydrochloride |
| IUPAC Name | [1-(3-chloro-2-fluorophenyl)cyclopentyl]methanamine;hydrochloride |
| InChI | InChI=1S/C12H15ClFN.ClH/c13-10-5-3-4-9(11(10)14)12(8-15)6-1-2-7-12;/h3-5H,1-2,6-8,15H2;1H |
| InChI Key | WJLBCEBDRAEJQE-UHFFFAOYSA-N |
| MDL Number | MFCD28023609 |
| Molecular Formula | C12H16Cl2FN |
| Molecular Weight | 264.1665 |
| SMILES | Cl.NCC1(C2=C(F)C(Cl)=CC=C2)CCCC1 |
| Synonyms | 1798696-90-8,
[1-(3-chloro-2-fluorophenyl)cyclopentyl]methanamine hydrochloride,
1-(3-Chloro-2-fluorophenyl)cyclopentanemethanamine Hydrochloride,
MCULE-8611724016,
SY161011,
MFCD28023609 (95%),
Z1837073490,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.165g/mol |
| Monoisotopic Mass | 263.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number