CAS 101488-65-7 3-(4-Fluorophenyl)propan-1-amine (HCID 6483796)

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Basic information

CAS: 101488-65-7
Standard SMILES: NCCCc1ccc(F)cc1
InChIKey: IIFDQESZTDBKEM-UHFFFAOYSA-N
Molecular formula: C9H12FN
Average molar mass: 153.2 g/mol
Monoisotopic mass: 153.0953776

Names & identifiers

Preferred name: 3-(4-Fluorophenyl)propan-1-amine
IUPAC: 3-(4-fluorophenyl)propan-1-amine
English name: 3-(4-FLUORO-PHENYL)-PROPYLAMINE
Molecular formula: C9H12FN
Molecular weight: 153.2

Names & synonyms

3-(4-fluorophenyl)propan-1-amine101488-65-7DTXSID00424328RefChem:274626DTXCID803751623-(4-Fluoro-phenyl)-propylamineBenzenepropanamine, 4-fluoro-3-(4-FLUOROPHENYL)-1-PROPANAMINEMFCD073740783-(4-fluorophenyl)propylamine4-FLUORO-BENZENEPROPANAMINE3-(4-fluorophenyl)-propylamine

Show more names

OTAVA-BB 10387123-(4-fluorophenyl)propan-1-amine(SALTDATA: FREE)

SCHEMBL1319643SCHEMBL3650173SCHEMBL7210161SCHEMBL11452249[3-(4-fluorophenyl)propyl]amineIIFDQESZTDBKEM-UHFFFAOYSA-NHMS1704M033-(4-fluorophenyl)-1-propylamine

Database identifiers

CAS: 101488-65-7
PubChem CID: 6483796
DTXSID: DTXSID00424328
EC Number: 108-400-8
Nikkaji: J2.748.533B

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 97.7

Physicochemical properties

Boiling point: 223.4 · 223.4±23.0 °C(Predicted)
Density: 1.044 · 1.044±0.06 g/cm3(Predicted)
storage temp.: 0 · Store at 0-8 °C
pka: 10.26 · 10.26±0.10(Predicted)
Appearance: orange liquid
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 227 · H227-H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: Xn
Risk Statements: 22 · 22
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

risk_code: 22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xn
hazard_class: IRRITANT
Hazard statements: H227-H314
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Applications

Uses3-(4-Fluorophenyl)propan-1-amine is a reactant used in the synthesis of triazine-based estrogen receptor modulators that display selectivity for estrogen receptor β.