2,2,2-trifluoro-N-methylethanamine

HCID 520301

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Basic information

CAS: 2730-67-8
Standard SMILES: CNCC(F)(F)F
InChIKey: XZYJNHZNHGUSNY-UHFFFAOYSA-N
Molecular formula: C3H6F3N
Average molar mass: 113.08 g/mol
Monoisotopic mass: 113.04523385

Names & identifiers

Preferred name: 2,2,2-trifluoro-N-methylethanamine
IUPAC: 2,2,2-trifluoro-N-methylethanamine
English name: 2,2,2-trifluoro-N-methylethanamine(SALTDATA: HCl)
Molecular formula: C3H6F3N
Molecular weight: 113.08

Names & synonyms

2730-67-82,2,2-trifluoro-N-methylethanamineDTXSID70334309RefChem:1058953DTXCID40285399methyl(2,2,2-trifluoroethyl)amineN-methyl-N-(2,2,2-trifluoroethyl)amineMETHYL-(2,2,2-TRIFLUORO-ETHYL)-AMINEMFCD08445796Ethanamine, 2,2,2-trifluoro-N-methyl-2,2,2-trifluoro-N-methylethan-1-amineN-Methyl-2,2,2-trifluoroethylamine

Show more names

2,2,2-trifluoro-N-methylethanamine(SALTDATA: HCl)

CF3CH2NHCH3SCHEMBL115500SCHEMBL273906SCHEMBL965840SCHEMBL1345575SCHEMBL7693058CHEMBL2448853XZYJNHZNHGUSNY-UHFFFAOYSA-N

Database identifiers

CAS: 2730-67-8
PubChem CID: 520301
DTXSID: DTXSID70334309
ChEMBL: CHEMBL2448853
Nikkaji: J1.582.311I

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 48.6

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

LogP0.55

Dissociation Constants6.1

Physicochemical properties

Boiling point: 47 °C · 47 °C
Density: 1.095 · 1.095±0.06 g/cm3(Predicted)
pka: 5.78 · 5.78±0.70(Predicted)
form: liquid
color: Colourless
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 280 · P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310
RIDADR: 2735 · UN2735
HazardClass: 8 · 8
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

Safety data

ridadr: UN2735
Signal word: Danger
Symbol(GHS): GHS05
hazard_class: 8
Hazard statements: H314-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310