Grundinformationen
- Standard-SMILES
COc1ccc(CNCc2ccc(OC)cc2)cc1- InChIKey
HBKPDEWGANZHJO-UHFFFAOYSA-N- Summenformel
- C16H19NO2
- Durchschnittliche Molmasse
- 257,33 g/mol
- Monoisotopische Masse
- 257,14157885
Namen und Bezeichner
- Bevorzugter Name
- Bis(4-methoxybenzyl)amine
- IUPAC
- 1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine
- Englischer Name
- Bis-(4-methoxy-benzyl)-amine
- Summenformel
- C16H19NO2
- Molmasse
- 257.33
Namen und Synonyme
Bis(4-methoxybenzyl)amine17061-62-0bis[(4-methoxyphenyl)methyl]amineDTXSID00351948bis((4-methoxyphenyl)methyl)amineRefChem:568908DTXCID10303014810-785-9Bis-(4-methoxy-benzyl)-amineN,N-bis(4-methoxybenzyl)amineBis-(4-methoxybenzyl)-amineMFCD00277836
Weitere Namen anzeigen
dianisylamineCHEMBRDG-BB 5550428Bis(4-methoxybenzyl)N-Bis(4-methoxybenzyl)amineBis(4-methoxybenzyl)amine,97%N,N-bis(p-methoxybenzyl)amineBI5-(4-M ETHOXY-BENZYL)-AMI NE
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanaminebis-(4-methoxybenzyl)amineN-(4-Methoxybenzyl)-1-(4-methoxyphenyl)methanamine; N,N-Bis(4-Methoxybenzyl)amine; Bis(4-methoxybenzyl)amine; 4,4'-dimethoxy-dibenzylamineBenzenemethanamine, 4-methoxy-N-[(4-methoxyphenyl)methyl]-di(4-methoxybenzyl)amineMaybridge1_007781bis(para-methoxybenzyl)amineCambridge id 5550428
Datenbank-Bezeichner
- CAS
17061-62-0- PubChem CID
- 714952
- DTXSID
DTXSID00351948- ChEMBL
CHEMBL1625290- ChEBI
CHEBI:195038- EC Number
- 810-785-9
- Nikkaji
- J1.014.526K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 30,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 207
Physikochemische Eigenschaften
- Schmelzpunkt
- 35 · 35-37℃
- Siedepunkt
- 384 ℃ · 384℃
- Dichte
- 1.073 · 1.073
- Flammpunkt
- 161 ℃ · 161℃
- storage temp.
- 2 · 2-8°C(protect from light)
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 9.55 · 9.55±0.20(Predicted)
- Farbe
- White to Off-White
- InChI
- InChI=1S/C16H19NO2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-10,17H,11-12H2,1-2H3
- InChIKey
- HBKPDEWGANZHJO-UHFFFAOYSA-N
- SMILES
- C1(CNCC2=CC=C(OC)C=C2)=CC=C(OC)C=C1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (40%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 4 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: 12-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33122
Hazard Classes and CategoriesSkin Corr. 1C (80%)；Skin Irrit. 2 (20%)；Eye Dam. 1 (40%)；Eye Irrit. 2 (20%)
Regulatorische Informationen
Regulatory InformationStatus: Active Update: 12-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33122
Sicherheitsdaten
- hs_code
- 2922190090
- hazard_code
- Xi
- hazard_class
- 8
Chemie und Industrie
Anwendungen
VerwendenN,N-Bis(4-methoxybenzyl)amine acts as a reagent for the synthesis and biological evaluation of pentanedioc acid derivatives as farnesyltransferase inhibitors. Also used in the preparation of (heteroarylamino)triazolamines as antiviral agents useful in the treatment of HCV infection.
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