| CAS Number | 905439-34-1 |
| Catalog Number | AG01AKET(AGN-PC-0WNRCE) |
| Chemical Name | [5-FLUORO-2-(MORPHOLIN-4-YL)PHENYL]METHANAMINE |
| IUPAC Name | (5-fluoro-2-morpholin-4-ylphenyl)methanamine |
| InChI | InChI=1S/C11H15FN2O/c12-10-1-2-11(9(7-10)8-13)14-3-5-15-6-4-14/h1-2,7H,3-6,8,13H2 |
| InChI Key | YSBDQTCQXJCFMT-UHFFFAOYSA-N |
| MDL Number | MFCD11640132 |
| Molecular Formula | C11H15FN2O |
| Molecular Weight | 210.2480 |
| SMILES | NCC1=C(N2CCOCC2)C=CC(F)=C1 |
| Synonyms | 905439-34-1,
(5-Fluoro-2-morpholinophenyl)methanamine,
[5-fluoro-2-(morpholin-4-yl)phenyl]methanamine,
SCHEMBL3583529,
DTXSID30655820,
YSBDQTCQXJCFMT-UHFFFAOYSA-N,
ZINC37235949,
AKOS008129036,
MCULE-1074811103,
NE19354,
AJ-93718,
EN300-83894,
1-(5-fluoro-2-morpholin-4-ylphenyl)methanamine,
1-[5-Fluoro-2-(morpholin-4-yl)phenyl]methanamine,
Z1258578175,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.252g/mol |
| Monoisotopic Mass | 210.117g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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