| CAS Number | 1609396-07-7 |
| Catalog Number | AG00J3IQ(AGN-PC-0WRAW1) |
| Chemical Name | N-(4-fluorobenzyl)cyclohexanamine hydrochloride |
| IUPAC Name | N-[(4-fluorophenyl)methyl]cyclohexanamine;hydrochloride |
| InChI | InChI=1S/C13H18FN.ClH/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13;/h6-9,13,15H,1-5,10H2;1H |
| InChI Key | BXPKCTWQDYNIIV-UHFFFAOYSA-N |
| MDL Number | MFCD06808601 |
| Molecular Formula | C13H19ClFN |
| Molecular Weight | 243.7481 |
| SMILES | N(C1CCCCC1)CC1=CC=C(F)C=C1.Cl |
| Synonyms | N-(4-Fluorobenzyl)cyclohexanamine hydrochloride,
1609396-07-7,
ZX-CM015570,
MFCD13186275,
AKOS030631356,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.75g/mol |
| Monoisotopic Mass | 243.119g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number