| CAS Number | 1092924-64-5 |
| Catalog Number | AG01AITV |
| Chemical Name | 4-(3-Fluorophenyl)butan-2-amine |
| IUPAC Name | 4-(3-fluorophenyl)butan-2-amine |
| InChI | InChI=1S/C10H14FN/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-4,7-8H,5-6,12H2,1H3 |
| InChI Key | CBTPZQTYRUCYFI-UHFFFAOYSA-N |
| MDL Number | MFCD11655346 |
| Molecular Formula | C10H14FN |
| Molecular Weight | 167.2233 |
| SMILES | CC(CCC1=CC(F)=CC=C1)N |
| Synonyms | 4-(3-fluorophenyl)butan-2-amine,
1092924-64-5,
3-(3-fluorophenyl)-1-methylpropylamine,
AC1Q2BB4,
SCHEMBL8855352,
CTK6A7488,
AKOS005265565,
NE56470,
EN300-78995,
3-(3-Fluoro-phenyl)-1-methyl-propylamine,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.227g/mol |
| Monoisotopic Mass | 167.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number