4-Aminomethyltetrahydropyran
Grundinformationen
- CAS
130290-79-8- Standard-SMILES
NCC1CCOCC1- InChIKey
IPBPLHNLRKRLPJ-UHFFFAOYSA-N- Summenformel
- C6H13NO
- Durchschnittliche Molmasse
- 115,17 g/mol
- Monoisotopische Masse
- 115,09971404
Namen und Bezeichner
- Bevorzugter Name
- 4-Aminomethyltetrahydropyran
- IUPAC
- oxan-4-ylmethanamine
- Englischer Name
- 4-(Aminomethyl)tetrahydro-2H-pyran
- Summenformel
- C6H13NO
- Molmasse
- 115.17
Namen und Synonyme
130290-79-84-aminomethyltetrahydropyran(oxan-4-yl)methanamineDTXSID70378283RefChem:518250DTXCID10329310638-888-2(Tetrahydro-2H-pyran-4-yl)methanamine4-(aminomethyl)tetrahydro-2h-pyranOxan-4-ylmethanamine4-(Aminomethyl)tetrahydropyran2H-PYRAN-4-METHANAMINE, TETRAHYDRO-
Weitere Namen anzeigen
ASINEX-REAG BAS 077315344-Aminotetrahydro-4H-pyran4-AMINOMETYYLTETRAHYDROPYRAN4-(Aminomethyl)tetrahydro...4-(Aminomethyl) tetrahydro-24-(Aminomethyl)tetrahydropyrane4-AMinoMethyltetrahydropyran 1GR4-AMinoMethyltetrahydropyran 5GR
MFCD021794351-(OXAN-4-YL)METHANAMINE1-tetrahydro-2H-pyran-4-ylmethanaminec-(tetrahydro-pyran-4-yl)-methylamine1-(tetrahydro-2H-pyran-4-yl)methanamineTETRAHYDRO-2H-PYRAN-4-METHANAMINE4-(Aminomethyl)-2H-3,4,5,6-tetrahydropyran2H-3,4,5,6-tetrahydropyran-4-ylmethylamine
Datenbank-Bezeichner
- CAS
130290-79-8- PubChem CID
- 2773210
- DTXSID
DTXSID70378283- UNII
- 86EN5GV2UR
- EC Number
- 638-888-2
- Nikkaji
- J2.470.375D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,1
- Polarare Oberfläche (TPSA)
- 35,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 59,5
Physikochemische Eigenschaften
- Siedepunkt
- 75 °C · 75 °C
- Dichte
- 1.02 · 1.02
- Brechungsindex
- 1.463 · 1.4630-1.4670
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Aggregatzustand
- clear liquid
- pka
- 10.01 · 10.01±0.29(Predicted)
- Farbe
- Colorless to Light yellow
- InChI
- InChI=1S/C6H13NO/c7-5-6-1-3-8-4-2-6/h6H,1-5,7H2
- InChIKey
- IPBPLHNLRKRLPJ-UHFFFAOYSA-N
- SMILES
- C1OCCC(CN)C1
- CAS Datenbank
- 130290 · 130290-79-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (54.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 22-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32305
Hazard Classes and CategoriesAcute Tox. 4 (54.5%)
Sicherheitsdaten
- ridadr
- 2735
- hs_code
- 29329990
- risk_code
- 34-41-37/38-22
- hazard_code
- Xi,C,Xn
- safety_code
- 26-36/37/39-45-39
- hazard_class
- IRRITANT
- packing_group
- Ⅲ
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