7-Amino-1,2,3,4-tetrahydronaphthalen-1-one

HCID 327177CAS 22009-40-1

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Nc1ccc2c(c1)C(=O)CCC2
InChIKey: IDNLVJHOEZJNHW-UHFFFAOYSA-N
Summenformel: C10H11NO
Durchschnittliche Molmasse: 161,2 g/mol
Monoisotopische Masse: 161,08406397

Namen und Bezeichner

Bevorzugter Name: 7-Amino-1,2,3,4-tetrahydronaphthalen-1-one
IUPAC: 7-amino-3,4-dihydro-2H-naphthalen-1-one
Englischer Name: 7-AMINO-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
Summenformel: C10H11NO
Molmasse: 161.2

Namen und Synonyme

7-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONERefChem:545322696-582-422009-40-17-amino-3,4-dihydronaphthalen-1(2h)-one7-amino-1-tetralone7-Amino-alpha-tetralone7-amino-3,4-dihydro-2H-naphthalen-1-oneMFCD073698177-amino-3,4-dihydro-1(2h)-naphthalenone7-aminotetralone7-amino-tetralone

Weitere Namen anzeigen

7-Amino-α-tetralone7-Amino-a-tetralone7-Amino-3,4-dihydronaphthalen-2(1H)-one7-Amino-alpha-tetralone, CAS 22009-40-11(2H)-Naphthalenone, 7-amino-3,4-dihydro-

NSC301173SCHEMBL656011MLS003115755XAA009407-amino-alpha-tetralone, AldrichCPRNSC-301173AC-7191SMR001831323

Datenbank-Bezeichner

CAS: 22009-40-1
PubChem CID: 327177
DTXSID: DTXSID00316234
ChEMBL: CHEMBL2141304
EC Number: 696-582-4
Nikkaji: J37.371K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 43,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 190

Physikochemische Eigenschaften

Schmelzpunkt: 140 ℃ · 140℃
Siedepunkt: 346.5 · 346.5±31.0 °C(Predicted)
Dichte: 1.193 · 1.193±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Crystalline Powder
pka: 3.92 · 3.92±0.20(Predicted)
Farbe: Yellow to brown
InChI: 1S/C10H11NO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3,11H2
InChIKey: IDNLVJHOEZJNHW-UHFFFAOYSA-N
SMILES: Nc1ccc2CCCC(=O)c2c1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, 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.；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

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2921450090
risk_code: 36/38-25
hazard_code: T
safety_code: 22-26-36/37/39-45
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral