| CAS Number | 119744-61-5 |
| Catalog Number | AG0094BN(AGN-PC-001NMF) |
| Chemical Name | N-Ethyl 4-fluorobenzylamine HCl |
| IUPAC Name | N-[(4-fluorophenyl)methyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C9H12FN.ClH/c1-2-11-7-8-3-5-9(10)6-4-8;/h3-6,11H,2,7H2,1H3;1H |
| InChI Key | YZUXVVXBQUURFI-UHFFFAOYSA-N |
| MDL Number | MFCD07106862 |
| Molecular Formula | C9H13ClFN |
| Molecular Weight | 189.6576 |
| SMILES | C1(=CC=C(CNCC)C=C1)F.Cl |
| Synonyms | 119744-61-5,
N-(4-Fluorobenzyl)ethanamine hydrochloride,
N-Ethyl 4-fluorobenzylamine HCl,
C9H12FN.HCl,
ZX-CM018437,
MFCD07106862,
AKOS026670684,
MCULE-4067092768,
Z8120,
K-1396,
Ethyl-(4-fluoro-benzyl)-amine,
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| Complexity | 97.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.658g/mol |
| Monoisotopic Mass | 189.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number