4-[(Pyridin-4-yl)methyl]aniline

HCID 307158CAS 27692-74-6

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Grundinformationen

Standard-SMILES: Nc1ccc(Cc2ccncc2)cc1
InChIKey: WZXYYQHVDJMIFF-UHFFFAOYSA-N
Summenformel: C12H12N2
Durchschnittliche Molmasse: 184,24 g/mol
Monoisotopische Masse: 184,10004838

Namen und Bezeichner

Bevorzugter Name: 4-[(Pyridin-4-yl)methyl]aniline
IUPAC: 4-(pyridin-4-ylmethyl)aniline
Englischer Name: 4-(4-PYRIDYLMETHYL)ANILINE
Summenformel: C12H12N2
Molmasse: 184.24

Namen und Synonyme

4-[(pyridin-4-yl)methyl]aniline4-((pyridin-4-yl)methyl)anilineRefChem:509915887-667-94-(pyridin-4-ylmethyl)aniline27692-74-64-(4-pyridylmethyl)aniline4-Pyridin-4-ylmethyl-phenylamineBenzenamine, 4-(4-pyridinylmethyl)-MFCD000530604-(4-aminobenzyl)pyridine4-(4-pyridinylmethyl)phenylamine

Weitere Namen anzeigen

AKOS B022151AKOS MSC-0758ASISCHEM C15388BUTTPARK 96\57-84IFLAB-BB F0902-4430ART-CHEM-BB B022151TIMTEC-BB SBB007147LABOTEST-BB LT00073086

4-(4-Pyridinylmethyl)-phenylamine4-(4-pyridylmethyl)aniline, AldrichCPRBP-10866SR-010004301694-(4-pyridylmethyl)phenylamineF0902-44304-(4-pyridinylmethyl)aniline[4-(pyridin-4-ylmethyl)phenyl]amine

Datenbank-Bezeichner

CAS: 27692-74-6
PubChem CID: 307158
DTXSID: DTXSID90308562
EC Number: 887-667-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 156

Physikochemische Eigenschaften

Schmelzpunkt: 152 · 152-153 °C
Siedepunkt: 354 · 354.0±22.0 °C(Predicted)
Dichte: 1.121 · 1.121±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: crystalline powder
pka: 5.93 · 5.93±0.10(Predicted)
Farbe: Light yellow
InChI: 1S/C12H12N2/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9,13H2
InChIKey: WZXYYQHVDJMIFF-UHFFFAOYSA-N
SMILES: Nc1ccc(Cc2ccncc2)cc1
CAS Datenbank: 27692 · 27692-74-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.