2-(4-Fluorophenoxy)ethanamine

HCID 3135849

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Basic information

CAS: 6096-89-5
Standard SMILES: NCCOc1ccc(F)cc1
InChIKey: HTMIRIIZZGJJBK-UHFFFAOYSA-N
Molecular formula: C8H10FNO
Average molar mass: 155.17 g/mol
Monoisotopic mass: 155.07464216

Names & identifiers

Preferred name: 2-(4-Fluorophenoxy)ethanamine
IUPAC: 2-(4-fluorophenoxy)ethanamine
English name: 2-(4-FLUORO-PHENOXY)-ETHYLAMINE
Molecular formula: C8H10FNO
Molecular weight: 155.17

Names & synonyms

2-(4-fluorophenoxy)ethanamine6096-89-5DTXSID40389669RefChem:252334DTXCID603405302-(4-fluorophenoxy)ethylamine2-(4-Fluoro-phenoxy)-ethylamine2-(4-fluorophenoxy)ethan-1-amine[2-(4-fluorophenoxy)ethyl]amineMFCD00235183Ethanamine, 2-(4-fluorophenoxy)-F1967-1326

Show more names

TIMTEC-BB SBB010365CHEMBRDG-BB 40150132-(4-FLUOROPHENOXY)-1-ETHANAMINE[2-(4-fluorophenoxy)ethyl]amine hydrochloride2-(4-fluorophenoxy)ethanamine(SALTDATA: CH3SO3H)

Oprea1_1705582-(p-fluorophenoxy)ethylamineSCHEMBL3229072-(p-fluorophenoxy)-ethylamineF1967-0121SCHEMBL5069758SCHEMBL28113400HTMIRIIZZGJJBK-UHFFFAOYSA-N

Database identifiers

CAS: 6096-89-5
PubChem CID: 3135849
DTXSID: DTXSID40389669
Nikkaji: J2.325.830G

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 102

Physicochemical properties

Boiling point: 246.6 · 246.6±20.0 °C(Predicted)
Density: 1.125 · 1.125±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 10.74 · 10.74±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
CAS DataBase Reference: 6096 · 6096-89-5
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
HazardClass: IRRITANT