CAS 207557-34-4 (2-Aminoethyl)[5-(trifluoromethyl)(2-pyridyl)]amine (HCID 2779424)

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Basic information

CAS: 207557-34-4
Standard SMILES: NCCNc1ccc(C(F)(F)F)cn1
InChIKey: PFGNVKSFFSSFEU-UHFFFAOYSA-N
Molecular formula: C8H10F3N3
Average molar mass: 205.18 g/mol
Monoisotopic mass: 205.08268198

Names & identifiers

Preferred name: (2-Aminoethyl)[5-(trifluoromethyl)(2-pyridyl)]amine
IUPAC: N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
English name: N-(2-aminoethyl)-N-[5-(trifluoromethyl)pyridin-2-yl]amine
Molecular formula: C8H10F3N3
Molecular weight: 205.18

Names & synonyms

207557-34-4(2-aminoethyl)[5-(trifluoromethyl)(2-pyridyl)]amineDTXSID30381435RefChem:395368DTXCID10332460N1-[5-(Trifluoromethyl)pyridin-2-yl]ethane-1,2-diamineN'-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamineMFCD008165921,2-Ethanediamine, N1-[5-(trifluoromethyl)-2-pyridinyl]-C8H10F3N31-(5-Trifluoromethyl-pyridin-2-yl)-ethane-1,2-diamineN'-[5-(trifluoromethyl)-2-pyridyl]ethane-1,2-diamine

Show more names

N-(2-aminoethyl)-N-[5-(trifluoromethyl)pyridin-2-yl]amine

N1-(5-(trifluoromethyl)pyridin-2-yl)ethane-1,2-diamineN-(2-Aminoethyl)-N-[5-(trifluoromethyl)-pyridin-2-yl]amineSCHEMBL50936621,2-Ethanediamine, N-[5-(trifluoromethyl)-2-pyridinyl]-PFGNVKSFFSSFEU-UHFFFAOYSA-NPFGNVKSFFSSFEU-UHFFFAOYSA-OHIA55734SBB093459

Database identifiers

CAS: 207557-34-4
PubChem CID: 2779424
DTXSID: DTXSID30381435

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 50.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 172

Physicochemical properties

Boiling point: 291.4 · 291.4±40.0 °C(Predicted)
Density: 1.316 · 1.316±0.06 g/cm3(Predicted)
pka: 9.08 · 9.08±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, 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.