| CAS Number | 926198-58-5 |
| Catalog Number | AG006G1L(AGN-PC-015SME) |
| Chemical Name | tert-butyl[(3-fluorophenyl)methyl]amine |
| IUPAC Name | N-[(3-fluorophenyl)methyl]-2-methylpropan-2-amine |
| InChI | InChI=1S/C11H16FN/c1-11(2,3)13-8-9-5-4-6-10(12)7-9/h4-7,13H,8H2,1-3H3 |
| InChI Key | XCGBDYPASWCFLR-UHFFFAOYSA-N |
| MDL Number | MFCD09044475 |
| Molecular Formula | C11H16FN |
| Molecular Weight | 181.2498 |
| SMILES | CC(NCC1=CC(F)=CC=C1)(C)C |
| Synonyms | 926198-58-5,
N-(tert-butyl)-N-(3-fluorobenzyl)amine,
N-(3-Fluorophenylmethyl)tert-butylamine,
tert-butyl[(3-fluorophenyl)methyl]amine,
AC1Q1MO6,
SCHEMBL10294063,
CTK5H1479,
DTXSID10588208,
N-tert-Butyl-3-fluorobenzylamine,
MFCD09044475,
ZINC21958440,
AKOS000128754,
MCULE-2463526023,
NE48763,
EN300-40214,
AB01007689-01,
N-[(3-fluorophenyl)methyl]-2-methylpropan-2-amine,
|
| Complexity | 151 |
| 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 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number