2-(2-Pyridyl)-2-propylamine

HCID 22736922

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Grundinformationen

CAS: 52568-28-2
Standard-SMILES: CC(C)(N)c1ccccn1
InChIKey: DQSQBZXDMHDHEO-UHFFFAOYSA-N
Summenformel: C8H12N2
Durchschnittliche Molmasse: 136,19 g/mol
Monoisotopische Masse: 136,10004838

Namen und Bezeichner

Bevorzugter Name: 2-(2-Pyridyl)-2-propylamine
IUPAC: 2-pyridin-2-ylpropan-2-amine
Englischer Name: [1-Methyl-1-(pyridin-2-yl)ethyl]amine
Summenformel: C8H12N2
Molmasse: 136.19

Namen und Synonyme

2-(2-PYRIDYL)-2-PROPYLAMINERefChem:454423809-382-052568-28-22-(PYRIDIN-2-YL)PROPAN-2-AMINE[1-METHYL-1-(PYRIDIN-2-YL)ETHYL]AMINE2-pyridin-2-ylpropan-2-amine1-methyl-1-pyridin-2-yl-ethylamineMFCD08729302C8H12N2(1-methyl-1-(pyridin-2-yl)ethyl)amine2-(2-pyridinyl)-2-propanamine

Weitere Namen anzeigen

104193Huang hydrosilylation catalystα,α-Dimethyl-2-pyridinemethanamine2-Pyridinemethanamine, α,α-dimethyl-2-(Pyridin-2-yl)isopropyl amine 95% (GC)alpha,alpha-DiMethyl-2-pyridineMethanaMine

2-(Pyridin-2-yl)isopropyl amine9271AHSCHEMBL1114414SCHEMBL1813470SCHEMBL10844864SCHEMBL10845956SCHEMBL294358832-amino-2-(2-pyridyl)-propane

Datenbank-Bezeichner

CAS: 52568-28-2
PubChem CID: 22736922
DTXSID: DTXSID90627962
EC Number: 809-382-0
Nikkaji: J278.687G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 110

Physikochemische Eigenschaften

Siedepunkt: 212.7 · 212.7±15.0 °C(Predicted)
Dichte: 0.98 g/mL · 0.9800 g/mL at 25℃
Brechungsindex: 1.516 · n/D1.516
Flammpunkt: 79 ℃ · 79℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 9.4 · 9.40±0.50(Predicted)
Aggregatzustand: liquid
InChI: InChI=1S/C8H12N2/c1-8(2,9)7-5-3-4-6-10-7/h3-6H,9H2,1-2H3
InChIKey: DQSQBZXDMHDHEO-UHFFFAOYSA-N
SMILES: NC(C)(C1=NC=CC=C1)C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2933399990
risk_code: 22
hazard_code: Xn
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Anwendungen

VerwendenThe Shi Auxiliary is a powerful directing group for the hydroxylation of arenes through copper-mediated C-H activation. This useful auxiliary can be removed through acid-mediated hydrolysis and has shown to be done on gram-scale.