CAS 2359-60-6 4-(Piperidin-1-yl)aniline (HCID 413501)

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Basic information

CAS: 2359-60-6
Standard SMILES: Nc1ccc(N2CCCCC2)cc1
InChIKey: TVOSOIXYPHKEAR-UHFFFAOYSA-N
Molecular formula: C11H16N2
Average molar mass: 176.26 g/mol
Monoisotopic mass: 176.13134851

Names & identifiers

Preferred name: 4-(Piperidin-1-yl)aniline
IUPAC: 4-piperidin-1-ylaniline
English name: 4-Piperidinoaniline
Molecular formula: C11H16N2
Molecular weight: 176.26

Names & synonyms

4-(piperidin-1-yl)anilineRefChem:516656626-890-64-Piperidinoaniline2359-60-64-Piperidin-1-yl-phenylamine4-piperidin-1-ylanilineBenzenamine, 4-(1-piperidinyl)-4-(1-Piperidinyl)anilineN-(4-Aminophenyl)piperidineMFCD000516884-(1-piperidyl)aniline

Show more names

AKOS B033030AKOS BB-8563ASISCHEM V33555BUTTPARK 97\12-13TIMTEC-BB SBB0100874-(1-pieridino)anilineLABOTEST-BB LT004553664-Piperidinoaniline,98%

CHEMBL23910444-piperidylphenylamine1-(4-aminophenyl)piperidineEnamine_000904N-p-aminophenylpiperidine4-(I-piperidino)aniline4-(1-piperidino) aniline4-piperidin-1-ylphenylamine

Database identifiers

CAS: 2359-60-6
PubChem CID: 413501
DTXSID: DTXSID10328722
ChEMBL: CHEMBL2391044
EC Number: 626-890-6
Nikkaji: J308.046C

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 144

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical structure

Physicochemical properties

Melting point: 26 · 26-29 °C(lit.)
Boiling point: 140 · 140-142°C 1mm
Density: 1.074 · 1.074±0.06 g/cm3(Predicted)
refractive index: 20 · n20/D 1.5937(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
pka: 7.79 · 7.79±0.10(Predicted)
form: low melting solid
color: Brown to black
BRN: 139525 · 139525
InChI: 1S/C11H16N2/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7H,1-3,8-9,12H2
InChIKey: TVOSOIXYPHKEAR-UHFFFAOYSA-N
SMILES: Nc1ccc(cc1)N2CCCCC2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (11.1%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: 2811
hs_code: 29333990
risk_code: 36/37/38-36/37-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Harmful
safety_code: 26-36-36/37/39-22
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemistry & industry

Applications

UsesReactant for synthesis of:Amino acid arylamidesSelective interleukin-2 inducible T-cell inhibitorsAntimalarial drugsAglycoristocetin derivatives for anti-influenza virus activityIRAK-4 inhibitors9-Aminoacridines with antiprion activity