| CAS Number | 893589-79-2 |
| Catalog Number | AG003HC0(AGN-PC-0WOOL2) |
| Chemical Name | [(2-Fluorophenyl)methyl](2-methylpropyl)amine |
| IUPAC Name | N-[(2-fluorophenyl)methyl]-2-methylpropan-1-amine |
| InChI | InChI=1S/C11H16FN/c1-9(2)7-13-8-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3 |
| InChI Key | MXIQSNZZFFIORF-UHFFFAOYSA-N |
| MDL Number | MFCD04510051 |
| Molecular Formula | C11H16FN |
| Molecular Weight | 181.2498 |
| SMILES | CC(CNCC1=C(F)C=CC=C1)C |
| Synonyms | 893589-79-2,
2-Fluoro-N-isobutylbenzylamine,
[(2-fluorophenyl)methyl](2-methylpropyl)amine,
AC1NFOXG,
SCHEMBL172639,
N-(2-Fluorobenzyl)isobutylamine,
KS-00001LSF,
ZINC6883658,
MFCD04510051,
2-Fluoro-N-isobutylbenzylamine, 97%,
AKOS000226835,
MCULE-6189280592,
N-[(2-fluorophenyl)methyl]-2-methylpropan-1-amine,
CID4711676,
N-(2-fluorobenzyl)-2-methylpropan-1-amine,
N-[(2-fluorophenyl)methyl]-2-methyl-propan-1-amine,
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| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.254g/mol |
| Monoisotopic Mass | 181.127g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number