p-Anisyl(2-pyridyl)amin

N-(4-Methoxybenzyl)pyridin-2-amine

HCID 97452CAS 52818-63-0

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Grundinformationen

Standard-SMILES: COc1ccc(CNc2ccccn2)cc1
InChIKey: SMJGJENXFSWIMQ-UHFFFAOYSA-N
Summenformel: C13H14N2O
Durchschnittliche Molmasse: 214,26 g/mol
Monoisotopische Masse: 214,11061307

Namen und Bezeichner

Bevorzugter Name: N-(4-Methoxybenzyl)pyridin-2-amine
IUPAC: N-[(4-methoxyphenyl)methyl]pyridin-2-amine
Lokaler Name: p-Anisyl(2-pyridyl)amin
Englischer Name: 2-(4-Methoxybenzylamino)pyridine
Summenformel: C13H14N2O
Molmasse: 214.26

Namen und Synonyme

52818-63-0N-(4-methoxybenzyl)pyridin-2-aminep-Anisyl(2-pyridyl)amineV4N1TI20XXN-[(4-Methoxyphenyl)methyl]-2-pyridinamineEINECS 258-202-1UNII-V4N1TI20XXNSC-1241382-(p-methoxybenzylamino)pyridine2-Pyridinamine, N-((4-methoxyphenyl)methyl)-DTXSID70200797MEPYRAMINE MALEATE IMPURITY A

Weitere Namen anzeigen

MEPYRAMINE IMP AMepyramine Impurity 1Mepyramine EP Impurity A2-(P-METHOXYBENZYL)AMINOPYRIDINEMepyramine Maleate EP Impurity A2-(P-METHOXYBENZYL)AMINOPYRIMIDINE

SKF-47437NSC 124138N-((4-METHOXYPHENYL)METHYL)-2-PYRIDINAMINERefChem:202013DTXCID001232882-(4-Methoxybenzylamino)pyridineN-[(4-methoxyphenyl)methyl]pyridin-2-amineMFCD00006252

Datenbank-Bezeichner

CAS: 52818-63-0
PubChem CID: 97452
DTXSID: DTXSID70200797
UNII: V4N1TI20XX
EC Number: 258-202-1
Nikkaji: J62.787I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 34,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 16
Formalladung: 0
Komplexität: 190

Physikochemische Eigenschaften

Schmelzpunkt: 121 · 121-126 °C
Siedepunkt: 354.4 °C · 354.4°C (rough estimate)
Dichte: 1.085 · 1.0850 (rough estimate)
Brechungsindex: 1.645 · 1.6450 (estimate)
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
pka: 6.28 · 6.28±0.10(Predicted)
Major Application: pharmaceutical (small molecule)
InChI: 1S/C13H14N2O/c1-16-12-7-5-11(6-8-12)10-15-13-4-2-3-9-14-13/h2-9H,10H2,1H3,(H,14,15)
InChIKey: SMJGJENXFSWIMQ-UHFFFAOYSA-N
SMILES: N(Cc2ccc(cc2)OC)c1ncccc1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.；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

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (50%)；Eye Dam. 1 (50%)；STOT SE 3 (50%)

Sicherheitsdaten

hs_code: 29333999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

VerwendenN-[(4-Methoxyphenyl)methyl]-2-pyridinamine was used in the study of synthesis and microbiology evaluations of (N-heteroaryl)arylmethanamines and their Schiff bases.