2-(Piperidin-1-yl)aniline

HCID 458795CAS 39643-31-7

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccccc1N1CCCCC1
InChIKey: OYECAJPUPWFCSL-UHFFFAOYSA-N
Molecular formula: C11H16N2
Average molar mass: 176.26 g/mol
Monoisotopic mass: 176.13134851

Names & identifiers

Preferred name: 2-(Piperidin-1-yl)aniline
IUPAC: 2-piperidin-1-ylaniline
English name: 2-PIPERIDINOANILINE
Molecular formula: C11H16N2
Molecular weight: 176.26

Names & synonyms

2-(piperidin-1-yl)anilineRefChem:461850678-669-92-Piperidinoaniline39643-31-7N-(2-Aminophenyl)piperidine2-(1-Piperidino)aniline2-piperidin-1-ylaniline2-Piperidin-1-yl-phenylamine2-(1-Piperidinyl)anilineMFCD000474672-(1-piperidyl)aniline

Show more names

AKOS B033104AKOS BB-8561ASISCHEM U80306BUTTPARK 96\57-89AKOS BBS-00006462TIMTEC-BB SBB003777

CHEMBL52206892-piperidylphenylamineBenzenamine, 2-(1-piperidinyl)-1-(2-aminophenyl)piperidine2-piperdinoanilinepiperidinyl benzenamineEnamine_0007942-piperidin-1-ylphenylamine

Database identifiers

CAS: 39643-31-7
PubChem CID: 458795
DTXSID: DTXSID30332568
ChEMBL: CHEMBL5220689
EC Number: 678-669-9
Nikkaji: J308.253I

Properties

Computed structural properties

XLogP: 2.2
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: 152

Physicochemical properties

Melting point: 44 · 44-48 °C
Boiling point: 96 °C · 96 °C (1 mmHg)
Density: 1.074 · 1.074±0.06 g/cm3(Predicted)
Flash point: 96 · 96-98°C/1mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Crystals or Crystalline Powder
pka: 7.03 · 7.03±0.10(Predicted)
color: Brown
BRN: 151856 · 151856
CAS DataBase Reference: 39643 · 39643-31-7(CAS DataBase Reference)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 302 · H302-H312-H315-H319-H331
Precautionary statements: 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xn,T,Xi
Risk Statements: 20 · 20/21/22-36
Safety Statements: 36 · 36/37
RIDADR: 2811 · 2811
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29333999 · 29333999

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (83.3%): 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (83.3%)

Safety data

ridadr: 2811
hs_code: 29333999
risk_code: 20/21/22-36
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xn,T,Xi
safety_code: 36/37
hazard_class: 6.1
packing_group: III
Hazard statements: H302-H312-H315-H319-H331
Precautionary statements: P261-P280-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses2-(1-Piperidino)aniline is used to prepare oxalylarylaminobenzoic acids as inhibitors of protein tyrosine phosphatase 1B. It is also used to synthesize benzimidazole derivatives as AMP-activated protein kinase activators.