8-Methyl-8-azabicyclo[3.2.1]octan-3-amine

HCID 408394CAS 98998-25-5

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Grundinformationen

Standard-SMILES: CN1C2CCC1CC(N)C2
InChIKey: HJGMRAKQWLKWMH-UHFFFAOYSA-N
Summenformel: C8H16N2
Durchschnittliche Molmasse: 140,23 g/mol
Monoisotopische Masse: 140,13134852

Namen und Bezeichner

Bevorzugter Name: 8-Methyl-8-azabicyclo[3.2.1]octan-3-amine
IUPAC: 8-methyl-8-azabicyclo[3.2.1]octan-3-amine
Englischer Name: 3-Aminotropane
Summenformel: C8H16N2
Molmasse: 140.23

Namen und Synonyme

8-Methyl-8-azabicyclo[3.2.1]octan-3-amineDTXSID609129138-Methyl-8-azabicyclo(3.2.1)octan-3-amineRefChem:548282DTXCID70896710674-333-098998-25-5MFCD002106993-Amino-8-methyl-8-azabicyclo[3.2.1]octane8-methyl-8-azabicyclo[3.2.1]oct-3-ylamineEthanone,2-(methylsulfonyl)-1-(2-pyridinyl)-exo-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

Weitere Namen anzeigen

3-Aminotropane8-methyl-8-azabicyclo[3.2.1]octan-3-ylamine8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-AMINE,96%8-Methyl-8-azabicyclo[3.2.1]octan-3-amine, 3-Aminotropane

8-Azabicyclo[3.2.1]octan-3-amine, 8-methyl-NSC13185SCHEMBL334182SCHEMBL2087753NSC-13185SBB021746AKOS000307828PB14179

Datenbank-Bezeichner

CAS: 98998-25-5
PubChem CID: 408394
DTXSID: DTXSID60912913
EC Number: 674-333-0
Nikkaji: J1.521.448A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 29,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 121

Physikochemische Eigenschaften

Schmelzpunkt: 124 · 124-125 °C(Solv: ethyl ether (60-29-7))
Siedepunkt: 82 ℃/8mm · 82℃/8mm
Dichte: 0.99 · 0.990±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 11.03 · 11.03±0.40(Predicted)
Aggregatzustand: solid
Farbe: Light Yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H226 (33.3%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (33.3%)；Acute Tox. 4 (33.3%)；Acute Tox. 4 (33.3%)；Skin Corr. 1B (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)