| CAS Number | 1052418-35-5 |
| Catalog Number | AG00J3VX |
| Chemical Name | (4-fluorobenzyl)(4-pyridinylmethyl)amine hydrochloride |
| IUPAC Name | 1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrochloride |
| InChI | InChI=1S/C13H13FN2.ClH/c14-13-3-1-11(2-4-13)9-16-10-12-5-7-15-8-6-12;/h1-8,16H,9-10H2;1H |
| InChI Key | LLYJUQHYADGLIA-UHFFFAOYSA-N |
| MDL Number | MFCD06002298 |
| Molecular Formula | C13H14ClFN2 |
| Molecular Weight | 252.7151 |
| SMILES | C1=CC(=CC=C1CNCC2=CC=NC=C2)F.Cl |
| Synonyms | (4-FLUOROBENZYL)(4-PYRIDINYLMETHYL)AMINE HYDROCHLORIDE,
1052418-35-5,
AC1MGXWY,
CTK5F7543,
1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine Hydrochloride,
MFCD06002298,
AKOS024397124,
MCULE-4674417447,
SR-01000289134,
SR-01000289134-1,
CID2968379,
(4-FLUOROBENZYL)(PYRIDIN-4-YLMETHYL)AMINE,
869945-23-3,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.717g/mol |
| Monoisotopic Mass | 252.083g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number