Diethylcyanamid

Diethylcyanamide

HCID 12050CAS 617-83-4

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Grundinformationen

Standard-SMILES: CCN(C#N)CC
InChIKey: ZZTSQZQUWBFTAT-UHFFFAOYSA-N
Summenformel: C5H10N2
Durchschnittliche Molmasse: 98,15 g/mol
Monoisotopische Masse: 98,08439832

Namen und Bezeichner

Bevorzugter Name: Diethylcyanamide
IUPAC: diethylcyanamide
Lokaler Name: Diethylcyanamid
Englischer Name: DIETHYLCYANAMIDE
Summenformel: C5H10N2
Molmasse: 98.15

Namen und Synonyme

Diethylcyanamide617-83-4CYANAMIDE, DIETHYL-N-Cyanodiethylamine(Diethylamino)carbonitrileNSC 7768EINECS 210-532-7BRN 1741595DTXSID202107054-04-00-00381 (Beilstein Handbook Reference)RefChem:133484DTXCID10133196

Weitere Namen anzeigen

usafek-6326diethylkyanamidediethyl-cyanamidDiethylcyanamineN-Cyanodiethylzmine

210-532-7InChI=1/C5H10N2/c1-3-7(4-2)5-6/h3-4H2,1-2HZZTSQZQUWBFTAT-UHFFFAOYSA-NN,N-DiethylcyanamidecyanodiethylamineDiethylkyanamidUSAF EK-6326cyanamide, N,N-diethyl-

Datenbank-Bezeichner

CAS: 617-83-4
PubChem CID: 12050
DTXSID: DTXSID20210705
ChEMBL: CHEMBL274120
UNII: 3PRA9BL2CC
EC Number: 210-532-7
Nikkaji: J55.427H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 27 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 75,3

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSchoenflies notation

Physikochemische Eigenschaften

Schmelzpunkt: -80.6 °C · -80.6°C
Siedepunkt: 186 · 186-188 °C (lit.)
Dichte: 0.846 g/mL · 0.846 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.423(lit.)
Flammpunkt: 157 °F · 157 °F
Aggregatzustand: Fine Crystalline Powder
pka: -4.27 · -4.27±0.70(Predicted)
Farbe: White
InChI: 1S/C5H10N2/c1-3-7(4-2)5-6/h3-4H2,1-2H3
InChIKey: ZZTSQZQUWBFTAT-UHFFFAOYSA-N
SMILES: CCN(CC)C#N
CAS Datenbank: 617 · 617-83-4

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3276 6.1/PG III
hs_code: 29269095
RTECS-Nr.: GS6300000
risk_code: 23/24/25-36/37/38
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3