1,10-Phenanthrolin-5-amine

HCID 606970

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Grundinformationen

CAS: 54258-41-2
Standard-SMILES: Nc1cc2cccnc2c2ncccc12
InChIKey: DKPSSMOJHLISJI-UHFFFAOYSA-N
Summenformel: C12H9N3
Durchschnittliche Molmasse: 195,22 g/mol
Monoisotopische Masse: 195,07964729

Namen und Bezeichner

Bevorzugter Name: 1,10-Phenanthrolin-5-amine
IUPAC: 1,10-phenanthrolin-5-amine
Englischer Name: 1,10-Phenanthrolin-5-amine
Summenformel: C12H9N3
Molmasse: 195.22

Namen und Synonyme

1,10-Phenanthrolin-5-amine54258-41-2DTXSID90345775RefChem:71158DTXCID80296848627-746-5DKPSSMOJHLISJI-UHFFFAOYSA-N5-amino-1,10-phenanthroline(1,10)Phenanthrolin-5-ylamineMFCD00455733NCDS-11,10-Phenanthroline-5-amine

Weitere Namen anzeigen

5-AMinophenanthroline5-AMino-o-phenanthroline10-Phenanthrolin-5-amine1,1-Phenanthrolin-5-amine5-amino-1,10-phenanrolineAmine-1,10-PhenanthrolinAmino-1,1,0-phenanthroline5-Amine-1,1-phenanthroline

[1,10]Phenanthrolin-5-ylamineSMSSF-06255061,10-Phenanthrolin-5-amine, 97%CS-W004553AMS_CNC_ID-110982873doi:10.14272/DKPSSMOJHLISJI-UHFFFAOYSA-N.1CBDivE_011577CBChromo1_000067

Datenbank-Bezeichner

CAS: 54258-41-2
PubChem CID: 606970
DTXSID: DTXSID90345775
ChEMBL: CHEMBL5095888
EC Number: 627-746-5
Nikkaji: J842.072F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 15
Formalladung: 0
Komplexität: 231

Physikochemische Eigenschaften

Schmelzpunkt: 254 · 254-258 °C (lit.)
Siedepunkt: 197 · 197-198 °C
Dichte: 1.333 · 1.333±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: DMSO (Sparingly), Methanol (Sparingly)
Aggregatzustand: Solid
pka: 5.2 · 5.20±0.10(Predicted)
Farbe: Yellow to Orange
InChI: 1S/C12H9N3/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H,13H2
InChIKey: DKPSSMOJHLISJI-UHFFFAOYSA-N
SMILES: Nc1cc2cccnc2c3ncccc13

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 22-41-43
hazard_code: Xn
safety_code: 26-36/37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Sens. 1

Chemie und Industrie

Anwendungen

Verwenden1,10-Phenanthrolin-5-amine is a potential fluorescent label for DNA detection. 1,10-Phenanthrolin-5-amine is used as a mediator for glucose oxidase for development of biosensors and biofuel cells