α-Phenylpyridin-2-acetamid

alpha-Phenyl-2-pyridineacetamide

HCID 97964

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Grundinformationen

CAS: 7251-52-7
Standard-SMILES: NC(=O)C(c1ccccc1)c1ccccn1
InChIKey: PYAPITOPBTXXNJ-UHFFFAOYSA-N
Summenformel: C13H12N2O
Durchschnittliche Molmasse: 212,25 g/mol
Monoisotopische Masse: 212,09496301

Namen und Bezeichner

Bevorzugter Name: alpha-Phenyl-2-pyridineacetamide
IUPAC: 2-phenyl-2-pyridin-2-ylacetamide
Lokaler Name: α-Phenylpyridin-2-acetamid
Englischer Name: Phenyl-(2-pyridyl)acetamide
Summenformel: C13H12N2O
Molmasse: 212.25

Namen und Synonyme

7251-52-7alpha-Phenyl-2-pyridineacetamideA5VMT44Z62EINECS 230-663-3NSC 62572NSC-62572(2RS)-2-Phenyl-2-(pyridin-2-yl)acetamideSC-16571.ALPHA.-PHENYL-2-PYRIDINEACETAMIDE.ALPHA.-(2-PYRIDYL)BENZENEACETAMIDE2-PYRIDINEACETAMIDE, .ALPHA.-PHENYL-METHYLPHENIDATE HYDROCHLORIDE IMPURITY F [EP IMPURITY]

Weitere Namen anzeigen

α-Phenyl-2-pyridineacetamideα-Phenyl-2-pyridineacetamideSC 16571Ritalin Impurity 18Dopamine Impurity 47PHENYLPYRIDYLACETAMIDEa-Phenyl-2-pyridineacetamideα-phenylpyridine-2-acetamide

METHYLPHENIDATE HYDROCHLORIDE IMPURITY F (EP IMPURITY)2-Pyridineacetamide, alpha-phenyl-RefChem:555916ALPHA-(2-PYRIDYL)BENZENEACETAMIDE2-phenyl-2-(pyridin-2-yl)acetamidePhenyl-(2-pyridyl)acetamide2-Phenyl-2-(2-pyridyl)acetamide2-phenyl-2-pyridin-2-ylacetamide

Datenbank-Bezeichner

CAS: 7251-52-7
PubChem CID: 97964
UNII: A5VMT44Z62
EC Number: 230-663-3
Nikkaji: J212.263D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 56 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 236

Physikochemische Eigenschaften

Schmelzpunkt: 136 °C · 136 °C
Siedepunkt: 404.8 · 404.8±40.0 °C(Predicted)
Dichte: 1.178 · 1.178±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 15.48 · 15.48±0.50(Predicted)
Farbe: White to Off-White
InChI: InChI=1S/C13H12N2O/c14-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-9,12H,(H2,14,16)
InChIKey: PYAPITOPBTXXNJ-UHFFFAOYSA-N
SMILES: C(C(=O)N)(C1=NC=CC=C1)C1C=CC=CC=1
LogP: 0.59 · 0.59
CAS Datenbank: 7251 · 7251-52-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

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 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 10-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16896

Hazard Classes and CategoriesAcute Tox. 4 (83.3%)；Skin Irrit. 2 (16.7%)；Eye Irrit. 2 (16.7%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 10-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16896

Sicherheitsdaten

ridadr: UN 2811 6.1 / PGIII
hs_code: 2933.39.9200
Speicherklasse: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral