4-(Aminomethyl)oxane-4-carbonitrile

HCID 55285401

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Grundinformationen

CAS: 1263374-32-8
Standard-SMILES: N#CC1(CN)CCOCC1
InChIKey: WRAFVYHNHMNOCQ-UHFFFAOYSA-N
Summenformel: C7H12N2O
Durchschnittliche Molmasse: 140,18 g/mol
Monoisotopische Masse: 140,09496301

Namen und Bezeichner

Bevorzugter Name: 4-(Aminomethyl)oxane-4-carbonitrile
IUPAC: 4-(aminomethyl)oxane-4-carbonitrile
Englischer Name: 4-(Aminomethyl)tetrahydro-2H-pyran-4-carbonitrile HCl
Summenformel: C7H12N2O
Molmasse: 140.18

Namen und Synonyme

4-(aminomethyl)oxane-4-carbonitrileRefChem:515098868-192-61263374-32-84-(aminomethyl)tetrahydro-2H-pyran-4-carbonitrileMFCD192159142H-Pyran-4-carbonitrile, 4-(aminomethyl)tetrahydro-SCHEMBL1192219WRAFVYHNHMNOCQ-UHFFFAOYSA-N4-(Aminomethy)oxane-4-carbonitrile4-(aminomethyl)-tetrahydro-2H-pyran-4-carbonitrile hydrochlorideZB0591

Weitere Namen anzeigen

4-(Aminomethyl)tetrahydro-2H-pyran-4-carbonitrile HCl

AKOS006351608SY156953DB-331740CS-00079294-(aminomethyl)tetrahydropyran-4-carbonitrileEN300-132178F330861

Datenbank-Bezeichner

CAS: 1263374-32-8
PubChem CID: 55285401
EC Number: 868-192-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,8
Polarare Oberfläche (TPSA): 59 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 152

Physikochemische Eigenschaften

Siedepunkt: 281 · 281.0±25.0 °C(Predicted)
Dichte: 1.07 · 1.07±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 10.01 · 10.01±0.29(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.