Grundinformationen
- Standard-SMILES
CC(C)NCCN- InChIKey
KDRUIMNNZBMLJR-UHFFFAOYSA-N- Summenformel
- C5H14N2
- Durchschnittliche Molmasse
- 102,18 g/mol
- Monoisotopische Masse
- 102,11569845
Überblick
2-isopropylaminoethylamine is a primary aliphatic amine that is ethane-1,2-diamine substituted by an isopropyl group at the N atom. It has a role as a human metabolite. It is a primary aliphatic amine and a secondary aliphatic amine.
Namen und Bezeichner
- Bevorzugter Name
- N-Isopropylethylenediamine
- IUPAC
- N'-propan-2-ylethane-1,2-diamine
- Lokaler Name
- N-Isopropylethylendiamin
- Englischer Name
- N-Isopropylethylenediamine
- Summenformel
- C5H14N2
- Molmasse
- 102.18
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
19522-67-9- PubChem CID
- 88098
- DTXSID
DTXSID8066505- ChEBI
CHEBI:84288- EC Number
- 243-125-8
- Nikkaji
- J150.020A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,3
- Polarare Oberfläche (TPSA)
- 38,1 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 35,1
Physikochemische Eigenschaften
- Schmelzpunkt
- -30.89 °C · -30.89°C (estimate)
- Siedepunkt
- 135 · 135-137 °C
- Dichte
- 0.819 g/mL · 0.819 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.436(lit.)
- Flammpunkt
- 43 °F · 43 °F
- storage temp.
- Flammables area
- pka
- 10.08 · 10.08±0.29(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Wichte
- 0.819 · 0.819
- BRN
- 1732183 · 1732183
- InChI
- 1S/C5H14N2/c1-5(2)7-4-3-6/h5,7H,3-4,6H2,1-2H3
- InChIKey
- KDRUIMNNZBMLJR-UHFFFAOYSA-N
- SMILES
- CC(C)NCCN
- CAS Datenbank
- 19522 · 19522-67-9(CAS DataBase Reference)
- NIST chemische Informationen
- N-isopropylethylenediamine(19522-67-9)
- EPA chemische Informationen
- 1 · 1,2-Ethanediamine, N-(1-methylethyl)- (19522-67-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (90.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- F
- 10-23
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2733 3/PG 2
- hs_code
- 29212900
- risk_code
- 11-34
- hazard_code
- F,C
- safety_code
- 26-36/37/39-45-28A-16
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 2Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionChEBI: A primary aliphatic amine that is ethane-1,2-diamine substituted by an isopropyl group at the N atom.
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