N-Benzyl-4-methoxyaniline

HCID 519413CAS 17377-95-6

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Grundinformationen

Standard-SMILES: COc1ccc(NCc2ccccc2)cc1
InChIKey: LIJJGMDKVVOEFT-UHFFFAOYSA-N
Summenformel: C14H15NO
Durchschnittliche Molmasse: 213,27 g/mol
Monoisotopische Masse: 213,1153641

Namen und Bezeichner

Bevorzugter Name: N-Benzyl-4-methoxyaniline
IUPAC: N-benzyl-4-methoxyaniline
Englischer Name: N-BENZYL-4-METHOXYANILINE
Summenformel: C14H15NO
Molmasse: 213.27

Namen und Synonyme

N-Benzyl-4-methoxyaniline17377-95-6N-Benzyl-p-anisidineDTXSID50334009RefChem:162940DTXCID20285099677-180-8LIJJGMDKVVOEFT-UHFFFAOYSA-NBenzenemethanamine, N-(4-methoxyphenyl)-MFCD00059298N-Benzyl-N-(4-methoxyphenyl)amineN-benzyl-4-methoxy-aniline

Weitere Namen anzeigen

BenzylanisidineN-Benzyl-p-anisidinn-benzyl-4-anisidineN-Benzyl-p-anisidine >N-BENZYL-P-METHOXYANILINEN-BENZYL-4-METHOXYBENZENAMINEBENZYL-(4-METHOXY-PHENYL)-AMINE

(4-methoxyphenyl)benzylamineN-benzyl-p-methoxyanilineN-(4-methoxyphenyl)benzylamineN-(4-methoxyphenyl)-N-benzylamineN-benzyl-para-anisidineCambridge id 5107549Oprea1_078973CHEMBL237233

Datenbank-Bezeichner

CAS: 17377-95-6
PubChem CID: 519413
DTXSID: DTXSID50334009
ChEMBL: CHEMBL237233
EC Number: 677-180-8
Nikkaji: J151.169F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 21,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 16
Formalladung: 0
Komplexität: 181

Physikochemische Eigenschaften

Schmelzpunkt: 48 · 48-50°C
Siedepunkt: 138 · 138-140°C 0,1mm
Dichte: 1.101 · 1.101±0.06 g/cm3(Predicted)
Flammpunkt: 138 · 138-140°C/0.1mm
storage temp.: 2 · 2-8°C, protect from light
pka: 4.62 · 4.62±0.20(Predicted)
Aggregatzustand: powder to crystal
Farbe: Light yellow to Brown
BRN: 1877781 · 1877781
CAS Datenbank: 17377 · 17377-95-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (16.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (83.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H331 (16.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (83.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, 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.；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. 3 (16.7%)；Acute Tox. 4 (83.3%)；Acute Tox. 3 (16.7%)；Acute Tox. 4 (83.3%)；Acute Tox. 3 (16.7%)；Acute Tox. 4 (83.3%)