| CAS Number | 125640-89-3 |
| Catalog Number | AG009IIX |
| Chemical Name | Tert-butyl[(4-fluorophenyl)methyl]amine |
| IUPAC Name | N-[(4-fluorophenyl)methyl]-2-methylpropan-2-amine |
| InChI | InChI=1S/C11H16FN/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-7,13H,8H2,1-3H3 |
| InChI Key | LPILEJRPIAXWIE-UHFFFAOYSA-N |
| MDL Number | MFCD00600578 |
| Molecular Formula | C11H16FN |
| Molecular Weight | 181.2498 |
| SMILES | CC(NCC1=CC=C(F)C=C1)(C)C |
| Synonyms | 125640-89-3,
tert-butyl[(4-fluorophenyl)methyl]amine,
N-(4-Fluorophenylmethyl)tert-butylamine,
N-(TERT-BUTYL)-N-(4-FLUOROBENZYL)AMINE,
tert-Butyl(4-fluorobenzyl)amine,
AC1LGDKH,
4-fluorobenzylt-butylamine,
AC1Q1MO7,
SCHEMBL469176,
CTK6B0251,
ZINC4644755,
AKOS000127990,
MCULE-2780735395,
N-tert-Butyl-4-fluorobenzenemethanamine,
NE27916,
EN300-62321,
N-[(4-fluorophenyl)methyl]-2-methylpropan-2-amine,
CID792981,
N-[(4-fluorophenyl)methyl]-2-methyl-propan-2-amine,
|
| Complexity | 143 |
| 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 | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number