Benzenemethanamine, ar-ethenyl-N,N-dimethyl-

HCID 519956CAS 2245-52-5

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Grundinformationen

Standard-SMILES: C=Cc1ccc(CN(C)C)cc1
InChIKey: XQBHAZDVLGNSOJ-UHFFFAOYSA-N
Summenformel: C11H15N
Durchschnittliche Molmasse: 161,24 g/mol
Monoisotopische Masse: 161,12044948

Namen und Bezeichner

Bevorzugter Name: Benzenemethanamine, ar-ethenyl-N,N-dimethyl-
IUPAC: 1-(4-ethenylphenyl)-N,N-dimethylmethanamine
Englischer Name: (Dimethylaminomethyl)styrene
Summenformel: C11H15N
Molmasse: 161.24

Namen und Synonyme

N-(4-Vinylbenzyl)-N,N-dimethylamineBenzenemethanamine, ar-ethenyl-N,N-dimethyl-N-(Vinylbenzyl)dimethylamineRefChem:563315EINECS 256-875-6696-066-92245-52-5N,N-dimethyl-1-(4-vinylphenyl)methanamineBenzenemethanamine, 4-ethenyl-N,N-dimethyl-(Dimethylaminomethyl)styreneBenzylamine, N,N-dimethyl-p-vinyl-50976-17-5

Weitere Namen anzeigen

VINYLBENZYLDIMETHYLAMINEN-(4-Vinylbenzyl)-N,N-dimethylaminN-(4-VINYLBENZYL)-N,N-DIMETHYL AMINE(4-ethenylphenyl)methyl-dimethylazanium(4-ethenylphenyl)-N,N-dimethylmethanaminium

1-(4-ethenylphenyl)-N,N-dimethylmethanamineMFCD00078270[(4-ETHENYLPHENYL)METHYL]DIMETHYLAMINEN,N-Dimethyl-4'-vinylbenzylaminep-dimethylaminomethylstyrenen,n-dimethylvinylbenzylamineSCHEMBL465236N,N-Dimethyl-4-vinylbenzylamine

Datenbank-Bezeichner

CAS: 2245-52-5、50976-17-5
PubChem CID: 519956
DTXSID: DTXSID90427045
EC Number: 696-066-9
Nikkaji: J798.764A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 3,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 132

Physikochemische Eigenschaften

Siedepunkt: 217.3 ℃ · 217.3℃
Dichte: 0.937 · 0.937
Brechungsindex: 1.538 · 1.5380
Flammpunkt: 77.3 ℃ · 77.3℃
storage temp.: Refrigerator (+4°C)
pka: 8.82 · 8.82±0.28(Predicted)
Aggregatzustand: Liquid
Farbe: Clear yellow to brown
InChI: InChI=1S/C11H15N/c1-4-10-5-7-11(8-6-10)9-12(2)3/h4-8H,1,9H2,2-3H3
InChIKey: XQBHAZDVLGNSOJ-UHFFFAOYSA-N
SMILES: C1(CN(C)C)=CC=C(C=C)C=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.