2-(Piperidin-1-yl)-5-(trifluoromethyl)aniline

HCID 694756

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Basic information

CAS: 1496-40-8
Standard SMILES: Nc1cc(C(F)(F)F)ccc1N1CCCCC1
InChIKey: BERRRZOJDANPHE-UHFFFAOYSA-N
Molecular formula: C12H15F3N2
Average molar mass: 244.26 g/mol
Monoisotopic mass: 244.11873314

Names & identifiers

Preferred name: 2-(Piperidin-1-yl)-5-(trifluoromethyl)aniline
IUPAC: 2-piperidin-1-yl-5-(trifluoromethyl)aniline
English name: N-(2-AMINO-4-TRIFLUOROMETHYLPHENYL)PIPERIDINE
Molecular formula: C12H15F3N2
Molecular weight: 244.26

Names & synonyms

1496-40-82-(piperidin-1-yl)-5-(trifluoromethyl)anilineDTXSID00933687RefChem:461847DTXCID001362344677-652-3N-(2-Amino-4-trifluoromethylphenyl)piperidine27429-68-12-piperidin-1-yl-5-(trifluoromethyl)anilinen-[2-amino-4-(trifluoromethyl)phenyl]piperidine2-(1-piperidinyl)-5-(trifluoromethyl)aniline2-(Piperidin-1-yl)-5-(trifluoromethyl)aniline hydrochloride

Show more names

ART-CHEM-BB B0255813-AMINO-4-PIPERIDINOBENZOTRIFLUORIDE2-piperidino-5-(trifluoromethyl)aniline3-AMINO-4-(1-PIPERIDINO)BENZOTRIFLUORIDE

MFCD000421612-(piperidin-1-yl)-5-(trifluoromethyl)benzenamineBenzenamine, 2-(1-piperidinyl)-5-(trifluoromethyl)-2-piperidyl-5-(trifluoromethyl)phenylamineasischem z43511akos bb-8562akos b025581buttpark 44\09-69

Database identifiers

CAS: 1496-40-8、27429-68-1
PubChem CID: 694756
DTXSID: DTXSID00933687
EC Number: 670-894-0、677-652-3

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 249

Physicochemical properties

Melting point: 41 °C · 41 °C
Boiling point: 332.2 · 332.2±42.0 °C(Predicted)
Density: 1.236 · 1.236±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 6.19 · 6.19±0.11(Predicted)
Appearance: Off-white to light brown Solid
CAS DataBase Reference: 1496 · 1496-40-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36
Safety Statements: 26 · 26
HazardClass: 6.1 · 6.1
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H301 (80%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]