CAS 140-75-0|(4-fluorophenyl)methanamine|4-fluorobenzylamine|4-Fluorobenzylamine|p-FLUOROBENZYLAMINE|@4-fluorobenzylamine|4-Fluorobenzylamine 98%|对氟苄胺|4-Fluorobenzylamine|4-Fluorobenzenemethanam...

General Information

Structure

Molecular Formula

C₇H₈FN

Molecular Mass

125.1435232

Exact Mass

125.06407748

Charge

InChI

InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2

InChIKey

IIFVWLUQBAIPMJ-UHFFFAOYSA-N

Canonic Smiles

NCc1ccc(cc1)F

Isomeric Smiles

NCc1ccc(F)cc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.7401663

LogD (pH = 7.4)

-0.75572205

Log P

1.2417161

Molar Refractivity

34.7478

Polarizability

13.340725

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

-1.57

LOG S

-2.94

Solubility (Water)

1.84e-01 g/l

Data Source

Names and Identifiers

IUPAC name

(4-fluorophenyl)methanamine

IUPAC Traditional name

4-fluorobenzylamine @4-fluorobenzylamine

Synonyms

4-Fluorobenzylaminep-FLUOROBENZYLAMINE4-Fluorobenzylamine 98%对氟苄胺4-Fluorobenzylamine4-Fluorobenzenemethanaminep-Fluorobenzylamine1-(4-Fluorophenyl)methanamine[(4-Fluorophenyl)methyl]amineNSC 158269(4-Fluorophenyl)methanamine4-氟苄胺p-Fluorobenzyl amine

Names and Identifiers

Registration numbers

CAS Number

EC Number

Beilstein Number

MDL Number

PubChem CID