N'-(Ethylkohlenstoffimidoyl)-N,N-dimethylpropan-1,3-diamin

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

HCID 15908CAS 1892-57-5

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Grundinformationen

Standard-SMILES: CCN=C=NCCCN(C)C
InChIKey: LMDZBCPBFSXMTL-UHFFFAOYSA-N
Summenformel: C8H17N3
Durchschnittliche Molmasse: 155,24 g/mol
Monoisotopische Masse: 155,14224754

Überblick

Carbodiimide cross-linking reagent.

Namen und Bezeichner

Bevorzugter Name: 1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide
IUPAC: 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
Lokaler Name: N'-(Ethylkohlenstoffimidoyl)-N,N-dimethylpropan-1,3-diamin
Englischer Name: 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide
Summenformel: C8H17N3
Molmasse: 155.24

Namen und Synonyme

1892-57-5EDACEDCIETHYLDIMETHYLAMINOPROPYL CARBODIIMIDERJ5OZG6I4A1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-1-Ethyl-3-(3-(dimethylamino)propyl)carbodiimide1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideDTXSID608652583-(3-dimethylaminopropyl)-1-ethylcarbodiimide1-ethyl-3-[3-(dimethylamino)propyl]carbodiimideEDAP-Carbodiimide

Weitere Namen anzeigen

1-ETHYL-3-(3-DIMETHYLAMINOPROPYL) CARBODIIMIDEWSCIWSCD({[3-(dimethylamino)propyl]imino}methylidene)(ethyl)amine1-(3-Dimethylaminopropyl)-3-WATER-SOLUBLE CARBODIIMIDE

EDAP CarbodiimideRefChem:596586DTXCID90813686Carbodiimide, Ethyldimethylaminopropyl217-579-21-(3-DIMETHYLAMINOPROPYL)-3-ETHYLCARBODIIMIDEN1-((Ethylimino)methylene)-N3,N3-dimethylpropane-1,3-diamine1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide

Datenbank-Bezeichner

CAS: 1892-57-5
PubChem CID: 15908
DTXSID: DTXSID60865258
ChEMBL: CHEMBL1397523
UNII: RJ5OZG6I4A
EC Number: 217-579-2
Nikkaji: J7.804B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 28 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 11
Formalladung: 0
Komplexität: 134

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Uses -> Biochemical Research

Physical DescriptionLiquid; [Merck Index] Colorless to pale yellow liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Siedepunkt: 66 · 66-68°C/1mm
Dichte: 0.877 g/mL · 0.877 g/mL at 20 °C (lit.)
Brechungsindex: 20 · n20/D 1.461
Flammpunkt: 66 · 66-68°C/1mm
storage temp.: -20 °C · -20°C
Löslichkeit: Chloroform
pka: 9.52 · 9.52±0.28(Predicted)
Aggregatzustand: Liquid
Wichte: 0.885 · 0.885
Farbe: Colorless to slightly yellow
Wasserlöslichkeit: Soluble in water.
BRN: 507429 · 507429
Major Application: peptide synthesis
InChI: 1S/C8H17N3/c1-4-9-8-10-6-5-7-11(2)3/h4-7H2,1-3H3
InChIKey: LMDZBCPBFSXMTL-UHFFFAOYSA-N
SMILES: CCN=C=NCCCN(C)C
CAS Datenbank: 1892 · 1892-57-5(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1,3-Propanediamine, n'-(ethylcarbonimidoyl)-n,n-dimethyl-(1892-57-5)
EPA chemische Informationen: 1 · 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl- (1892-57-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (32.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P262, P264, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P332+P317, P333+P317, P342+P316, P361+P364, P362+P364, P363, P391, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 62 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryCorrosive; [Merck Index] Causes burns; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (32.3%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F: 1-3-10
wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 3
hs_code: 29252900
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1ASkin Sens. 1ASTOT RE 2 Oral

Chemie und Industrie

Verwendung und Herstellung

UsesUsed in crosslinking proteins to nucleic acids and DNA labeling in immunoconjugate preparations; [Merck Index]

General Manufacturing Information1,3-Propanediamine, N3-(ethylcarbonimidoyl)-N1,N1-dimethyl-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide is used as a carboxyl activating agent and activate phosphate groups in phospho mono and di esters. It is used in peptide synthesis, 3'-amino-3'-deoxyadenosine-5'-di- and triphosphates and in the preparation of antibodies like immunoconjugates. It plays a vital role for immobilization of large biomolecules in association with N-hydroxysuccinimide. It is also used in the acylation of phosphoranes.