| CAS Number | 1216231-74-1 |
| Catalog Number | AG01AD7U |
| Chemical Name | 4-(3,4-difluorophenyl)butan-1-amine |
| IUPAC Name | 4-(3,4-difluorophenyl)butan-1-amine |
| InChI | InChI=1S/C10H13F2N/c11-9-5-4-8(7-10(9)12)3-1-2-6-13/h4-5,7H,1-3,6,13H2 |
| InChI Key | UKLXGBLKUSXMIU-UHFFFAOYSA-N |
| MDL Number | MFCD14529697 |
| Molecular Formula | C10H13F2N |
| Molecular Weight | 185.2137 |
| SMILES | NCCCCC1=CC(F)=C(F)C=C1 |
| Synonyms | 4-(3,4-difluorophenyl)butan-1-amine,
1216231-74-1,
ZINC36156482,
AKOS013530448,
NE44985,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.101606g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.21g/mol |
| Monoisotopic Mass | 185.101606g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number