Dimethyl(prop-2-inyl)amin

N,N-Dimethylpropargylamine

HCID 81643CAS 7223-38-3

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Grundinformationen

Standard-SMILES: C#CCN(C)C
InChIKey: ILBIXZPOMJFOJP-UHFFFAOYSA-N
Summenformel: C5H9N
Durchschnittliche Molmasse: 83,13 g/mol
Monoisotopische Masse: 83,07349929

Überblick

monoamine oxidase inhibitor; structure

Namen und Bezeichner

Bevorzugter Name: N,N-Dimethylpropargylamine
IUPAC: N,N-dimethylprop-2-yn-1-amine
Lokaler Name: Dimethyl(prop-2-inyl)amin
Englischer Name: 1-Dimethylamino-2-propyne
Summenformel: C5H9N
Molmasse: 83.13

Namen und Synonyme

7223-38-33-Dimethylamino-1-propyne2-Propyn-1-amine, N,N-dimethyl-N,N-Dimethylpropargylamine9GXD8EZV6LDTXSID0064599RefChem:501086DTXCID8047268230-620-91-Dimethylamino-2-propyneN,N-dimethylprop-2-yn-1-amineN,N-Dimethyl-2-propynylamine

Weitere Namen anzeigen

(CH3)2NCH2C≡CHamino-2-propyne(CH3)2NCH2CequivCHDimethyl(2-propynyl)amine

N,N-Dimethyl-2-propyn-1-amineDimethyl(prop-2-ynyl)amineMFCD00008575N,N-dimethyl propargylamine2-Propynylamine, N,N-dimethyl-N-Propargyldimethylamine; Propargyldimethylaminedimethyl(prop-2-yn-1-yl)aminedimethylpropargylamine

Datenbank-Bezeichner

CAS: 7223-38-3
PubChem CID: 81643
DTXSID: DTXSID0064599
UNII: 9GXD8EZV6L
EC Number: 230-620-9
Nikkaji: J35.157A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 3,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 6
Formalladung: 0
Komplexität: 65,3

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 18 °C · 18°C (estimate)
Siedepunkt: 79 · 79-83 °C (lit.)
Dichte: 0.772 g/mL · 0.772 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.419(lit.)
Flammpunkt: 18 °F · 18 °F
storage temp.: 2 · 2-8°C
pka: 7.45 · 7.45±0.28(Predicted)
Aggregatzustand: Liquid
Wichte: 0.772 · 0.772
Farbe: Clear colorless to yellow
Wasserlöslichkeit: Fully miscible in water.
BRN: 1071222 · 1071222
InChI: 1S/C5H9N/c1-4-5-6(2)3/h1H,5H2,2-3H3
InChIKey: ILBIXZPOMJFOJP-UHFFFAOYSA-N
SMILES: CN(C)CC#C
CAS Datenbank: 7223 · 7223-38-3(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2-Propyn-1-amine, N,N-dimethyl- (7223-38-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationChemical: 2-Propyn-1-amine, N,N-dimethyl-

Hazards SummaryMonoamine oxidase inhibitor. [ChemIDplus] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; Toxic by skin absorption; [Sigma-Aldrich MSDS] See Propargyl chloride.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F: 10-34
wgk: 3
tsca: TSCA listed
ridadr: UN 2733 3/PG 1
hs_code: 29211999
risk_code: 11-20/21/22-34-21/22
hazard_code: F,C
safety_code: 16-26-27-28-36/37/39-45
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2-Propyn-1-amine, N,N-dimethyl-: ACTIVE

Anwendungen

Verwenden1-Dimethylamino-2-propyne is used in the synthesis of core shell systems based on noble metal nanoparticles coated by copolymers (polyacetylenes).