9-(Methylaminomethyl)anthracene

HCID 188128CAS 73356-19-1

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Grundinformationen

Standard-SMILES: CNCc1c2ccccc2cc2ccccc12
InChIKey: WRVHTDZJMNUGQN-UHFFFAOYSA-N
Summenformel: C16H15N
Durchschnittliche Molmasse: 221,3 g/mol
Monoisotopische Masse: 221,12044948

Überblick

structure given in first source

Namen und Bezeichner

Bevorzugter Name: 9-(Methylaminomethyl)anthracene
IUPAC: 1-anthracen-9-yl-N-methylmethanamine
Englischer Name: 9-(METHYLAMINOMETHYL)ANTHRACENE
Summenformel: C16H15N
Molmasse: 221.3

Namen und Synonyme

9-(Methylaminomethyl)anthracene9-MeNHMe-anthraceneRefChem:549142626-710-673356-19-11-(Anthracen-9-yl)-N-methylmethanamine1-anthracen-9-yl-N-methylmethanamineMFCD000099339-(n-methylaminomethyl)anthraceneN-Methyl-9-anthracenemethylamineBIDD:GT07409-(N-methylaminomethyl)-anthracene

Weitere Namen anzeigen

1-(Anthracen-9-yl)Methyl(9-anthrylmethyl)amine9-METHYLAMINOMETHYLANTRACENEN-(9-Anthrylmethyl)methanamineN-Methylanthracene-9-ylmethanamine9-(METHYLAMINOMETHYL)ANTHRACENE 99%N-(Anthracene-9-ylmethyl)methanamine

9-(Methylaminomethyl)anthracene, 99%SY034260CS-0045374N-Methyl-9-anthracenemethanamineN-Methyl-9-anthracenemethylamine; 9-MethylaminomethylanthraceneN-methyl-9-anth9-Anthracenemethanamine, N-methyl-9-Anthracenemethanamine, N_methyl-

Datenbank-Bezeichner

CAS: 73356-19-1
PubChem CID: 188128
DTXSID: DTXSID80994079
EC Number: 626-710-6
Nikkaji: J236.684C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,1
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 17
Formalladung: 0
Komplexität: 228

Physikochemische Eigenschaften

Schmelzpunkt: 57 · 57-59 °C (lit.)
Siedepunkt: 389.6 · 389.6±11.0 °C(Predicted)
Dichte: 1 · 1+-.0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 9.75 · 9.75±0.10(Predicted)
Farbe: Light Yellow to Dark Yellow
InChI: 1S/C16H15N/c1-17-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10,17H,11H2,1H3
InChIKey: WRVHTDZJMNUGQN-UHFFFAOYSA-N
SMILES: CNCc1c2ccccc2cc3ccccc13

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden9-(Methylaminomethyl)anthracene (MAMA) was used as a model drug in the study of the effect of enzymatic degradation on the release behaviors of MAMA by UV-Vis spectroscopy. It was also used as a reagent in a sensitive method for determination of isocyanates in air by HPLC via UV or fluorescence detection.