Name: Name:Benzeneethanamine, b-fluoro-
Brand: AABLOCKS
SKU: AA01AF2G
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA01AF2G

Chemical Name: Benzeneethanamine, b-fluoro-

CAS Number: 55601-20-2

Molecular Formula: C8H10FN

Molecular Weight: 139.1701

MDL Number: MFCD26936238

SMILES: NCC(c1ccccc1)F

Properties

Complexity: 89.3

Covalently-Bonded Unit Count: 1

Heavy Atom Count: 10

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 1

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 1

XLogP3: 1.2

Literature fold

Title: Thermodynamic functions of molecular conformations of (2-fluoro-2-phenyl-1-ethyl)ammonium ion and (2-hydroxy-2-phenyl-1-ethyl)ammonium ion as models for protonated noradrenaline and adrenaline: first-principles computational study of conformations and thermodynamic functions for the noradrenaline and adrenaline models.

Journal: The journal of physical chemistry. A20090319

55601-20-2 | Benzeneethanamine, b-fluoro-