Cyclooctylamin

Cyclooctylamine

HCID 2903CAS 5452-37-9

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Grundinformationen

Standard-SMILES: NC1CCCCCCC1
InChIKey: HSOHBWMXECKEKV-UHFFFAOYSA-N
Summenformel: C8H17N
Durchschnittliche Molmasse: 127,23 g/mol
Monoisotopische Masse: 127,13609954

Überblick

structure

Namen und Bezeichner

Bevorzugter Name: Cyclooctylamine
IUPAC: cyclooctanamine
Lokaler Name: Cyclooctylamin
Englischer Name: Cyclooctylamine
Summenformel: C8H17N
Molmasse: 127.23

Namen und Synonyme

CyclooctanamineCyclooctylamine5452-37-9AminocyclooctaneHE0JPO6GS5NSC-18965DTXSID9063900SKF-23880ARefChem:580905DTXCID9041736SKF 23880ASK&F-23880A

Weitere Namen anzeigen

AKOS BBS-00003592TIMTEC-BB SBB004245Cyclooctylamine >Cyclooctylamine 97%

226-694-7MFCD00001748Cyclooctylamine, 97+%cyclooctyl amine1-CyclooctanamineNSC20985CylcooctylamineEINECS 226-694-7

Datenbank-Bezeichner

CAS: 5452-37-9、6332-60-1
PubChem CID: 2903
DTXSID: DTXSID9063900
ChEMBL: CHEMBL1170791
UNII: HE0JPO6GS5
EC Number: 226-694-7
Nikkaji: J1.836H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 63

Physikochemische Eigenschaften

Schmelzpunkt: -48 °C · -48 °C (lit.)
Siedepunkt: 190 °C · 190 °C (lit.)
Dichte: 0.928 g/mL · 0.928 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.482(lit.)
Flammpunkt: 145 °F · 145 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: 10.2 g/l · 10.2g/l
Aggregatzustand: Liquid
pka: 11.03 · 11.03±0.20(Predicted)
Farbe: Clear colorless to light yellow
PH: 11.5 · 11.5 (4g/l, H2O, 20℃)
Wasserlöslichkeit: 10.2 g/L · Soluble in water. 10.2 g/L at 20°C.
BRN: 2689120 · 2689120
InChI: 1S/C8H17N/c9-8-6-4-2-1-3-5-7-8/h8H,1-7,9H2
InChIKey: HSOHBWMXECKEKV-UHFFFAOYSA-N
SMILES: NC1CCCCCCC1
CAS Datenbank: 5452 · 5452-37-9(CAS DataBase Reference)
NIST chemische Informationen: Cyclooctanamine(5452-37-9)
EPA chemische Informationen: Cyclooctanamine (5452-37-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationCyclooctylamine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 2
hs_code: 29213000
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationCyclooctanamine: ACTIVE

Anwendungen

VerwendenCyclooctylamine is used as pharmaceutical intermediates. It is used as a component of urea herbicides, e.g., cycluron (BASF). Its chemical behavior is analogous to that of other primary amines.