CAS 7179-96-6 N-Methyl-1-(tetrahydro-2H-pyran-2-yl)methanamine (HCID 12700142)

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Grundinformationen

CAS: 7179-96-6
Standard-SMILES: CNCC1CCCCO1
InChIKey: PMULDAJCNKLGCN-UHFFFAOYSA-N
Summenformel: C7H15NO
Durchschnittliche Molmasse: 129,2 g/mol
Monoisotopische Masse: 129,1153641

Namen und Bezeichner

Bevorzugter Name: N-Methyl-1-(tetrahydro-2H-pyran-2-yl)methanamine
IUPAC: N-methyl-1-(oxan-2-yl)methanamine
Englischer Name: Methyl-(tetrahydro-pyran-2-ylmethyl)-amine
Summenformel: C7H15NO
Molmasse: 129.2

Namen und Synonyme

N-Methyl-1-(tetrahydro-2H-pyran-2-yl)methanamineRefChem:830315800-789-97179-96-6methyl(oxan-2-ylmethyl)amineMETHYL-(TETRAHYDRO-PYRAN-2-YLMETHYL)-AMINEmethyl[(oxan-2-yl)methyl]amineN-methyl-1-(oxan-2-yl)methanamineMFCD06738978methyl(tetrahydro-2H-pyran-2-ylmethyl)amine2H-Pyran-2-methanamine, tetrahydro-N-methyl-SCHEMBL2128830

Weitere Namen anzeigen

CHEMBRDG-BB 4003543N-methyl-1-(2-oxanyl)methanamineN-methyl-1-tetrahydropyran-2-yl-methanamineN-methyl-1-(2-tetrahydropyranyl)methanamineN-METHYL(TETRAHYDRO-2H-PYRAN-2-YL)METHANAMINE

SCHEMBL18226082DTXSID80507340PMULDAJCNKLGCN-UHFFFAOYSA-NALBB-012353SBB079392AKOS005169891Methyl-(tetrahydropyran-2-ylmethyl)amineAS-47837

Datenbank-Bezeichner

CAS: 7179-96-6
PubChem CID: 12700142
DTXSID: DTXSID80507340

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 21,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 75

Physikochemische Eigenschaften

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: solid
InChI: 1S/C7H15NO/c1-8-6-7-4-2-3-5-9-7/h7-8H,2-6H2,1H3
InChIKey: PMULDAJCNKLGCN-UHFFFAOYSA-N
SMILES: CNCC1CCCCO1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H227 (50%): Combustible liquid [Warning Flammable liquids]；H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (25%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 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.