| CAS Number | 1368784-01-3 |
| Catalog Number | AG01A45N(AGN-PC-0WOCEZ) |
| Chemical Name | {1-[(4-Fluorophenyl)methyl]cyclopropyl}methanamine |
| IUPAC Name | [1-[(4-fluorophenyl)methyl]cyclopropyl]methanamine |
| InChI | InChI=1S/C11H14FN/c12-10-3-1-9(2-4-10)7-11(8-13)5-6-11/h1-4H,5-8,13H2 |
| InChI Key | BMDRIRSWAMBAME-UHFFFAOYSA-N |
| MDL Number | MFCD21669843 |
| Molecular Formula | C11H14FN |
| Molecular Weight | 179.2340 |
| SMILES | NCC1(CC1)CC1=CC=C(F)C=C1 |
| Synonyms | {1-[(4-fluorophenyl)methyl]cyclopropyl}methanamine,
1368784-01-3,
ZINC71497794,
AKOS015368573,
NE17320,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.238g/mol |
| Monoisotopic Mass | 179.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number