2,3-Dihydro-1,4-benzodioxin-6-methylamin

2,3-Dihydro-1,4-benzodioxin-6-methylamine

HCID 87102CAS 17413-10-4

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Grundinformationen

Standard-SMILES: NCc1ccc2c(c1)OCCO2
InChIKey: FUDYRLUSXBRPIA-UHFFFAOYSA-N
Summenformel: C9H11NO2
Durchschnittliche Molmasse: 165,19 g/mol
Monoisotopische Masse: 165,07897859

Namen und Bezeichner

Bevorzugter Name: 2,3-Dihydro-1,4-benzodioxin-6-methylamine
IUPAC: 2,3-dihydro-1,4-benzodioxin-6-ylmethanamine
Lokaler Name: 2,3-Dihydro-1,4-benzodioxin-6-methylamin
Englischer Name: 2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLMETHYLAMINE
Summenformel: C9H11NO2
Molmasse: 165.19

Namen und Synonyme

17413-10-42,3-Dihydro-1,4-benzodioxin-6-methylamineDTXSID80169765EINECS 241-440-52,3-Dihydro-1,4-benzodioxin-6-methanamineRefChem:442172DTXCID9092256241-440-5(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)methanamine2,3-Dihydro-1,4-benzodioxin-6-ylmethylamine1,4-benzodioxin-6-methanamine, 2,3-dihydro-2,3-dihydro-1,4-benzodioxin-6-ylmethanamine

Weitere Namen anzeigen

Compound Fr14522BUTTPARK 95\50-64RARECHEM AL BW 17442,3-Dihydro-1,4-benzodiacin-6-ylMethylaMine

6-(Aminomethyl)-1,4-benzodioxaneMFCD026776843,4-Ethylenedioxybenzylamine1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine1,4-Benzodioxin-6-methanamine,2,3-dihydro-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amine(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine3-Fluor-salicylald

Datenbank-Bezeichner

CAS: 17413-10-4
PubChem CID: 87102
DTXSID: DTXSID80169765
ChEMBL: CHEMBL4579007
UNII: VY2VGK4A37
EC Number: 241-440-5
Nikkaji: J287.043F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 44,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 151

Physikochemische Eigenschaften

Siedepunkt: 109 °C · 109 °C
Dichte: 1.194 · 1.194±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: liquid
pka: 9.31 · 9.31±0.29(Predicted)
Farbe: Yellow
InChI: 1S/C9H11NO2/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4,6,10H2
InChIKey: FUDYRLUSXBRPIA-UHFFFAOYSA-N
SMILES: NCc1ccc2OCCOc2c1
CAS Datenbank: 17413 · 17413-10-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.