| CAS Number | 1048640-53-4 |
| Catalog Number | AG00J3T5 |
| Chemical Name | [2-(1-Cyclohexen-1-yl)ethyl](4-fluorobenzyl)amine hydrochloride |
| IUPAC Name | 2-(cyclohexen-1-yl)-N-[(4-fluorophenyl)methyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C15H20FN.ClH/c16-15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13;/h4,6-9,17H,1-3,5,10-12H2;1H |
| InChI Key | LRSJDPDCQKZNFV-UHFFFAOYSA-N |
| MDL Number | MFCD03930945 |
| Molecular Formula | C15H21ClFN |
| Molecular Weight | 269.7853 |
| SMILES | C1(CCCCC=1)CCNCC1=CC=C(F)C=C1.Cl |
| Synonyms | [2-(1-Cyclohexen-1-yl)ethyl](4-fluorobenzyl)amine hydrochloride,
2-(cyclohex-1-en-1-yl)-N-(4-fluorobenzyl)ethanamine hydrochloride,
1048640-53-4,
ARONIS004987,
KS-00003XMR,
ZX-CM016870,
MFCD03930945,
AKOS003747160,
MCULE-9958033430,
VU0510724-1,
F3145-4171,
356531-66-3,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.788g/mol |
| Monoisotopic Mass | 269.135g/mol |
| Rotatable Bond Count | 5 |
| 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