2-Amino-2-cyanacetamid

2-Amino-2-cyanoacetamide

HCID 98341CAS 6719-21-7

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Grundinformationen

Standard-SMILES: N#CC(N)C(N)=O
InChIKey: JRWAUKYINYWSTA-UHFFFAOYSA-N
Summenformel: C3H5N3O
Durchschnittliche Molmasse: 99,09 g/mol
Monoisotopische Masse: 99,04326178

Namen und Bezeichner

Bevorzugter Name: 2-Amino-2-cyanoacetamide
IUPAC: 2-amino-2-cyanoacetamide
Lokaler Name: 2-Amino-2-cyanacetamid
Englischer Name: 2-Amino-2-cyanoacetamide
Summenformel: C3H5N3O
Molmasse: 99.09

Namen und Synonyme

2-Amino-2-cyanoacetamide6719-21-7AminocyanoacetamideAcetamide, 2-amino-2-cyano-2-AminocyanoacetamideAminocyanacetamidea-Amino-a-cyanoacetamideEINECS 229-771-3NSC 108868RefChem:85068229-771-3JRWAUKYINYWSTA-UHFFFAOYSA-N

Weitere Namen anzeigen

ACATIMTEC-BB SBB0015012-Amino-2-cyanacetamid2-cyano-2-aminoacetamide2-Amino-2-cyanoacetamide 97%

3-nitriloalaninamideMFCD00040532(S)-2-Amino-2-cyanoacetamide2091785-71-4NSC1088682-amino-cyanoacetamide2-amino-2cyanoacetamide2-amino-2-cyanacetamide

Datenbank-Bezeichner

CAS: 6719-21-7
PubChem CID: 98341
DTXSID: DTXSID101313188
EC Number: 229-771-3
Nikkaji: J298.081I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,8
Polarare Oberfläche (TPSA): 92,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 121

Physikochemische Eigenschaften

Schmelzpunkt: 120 · 120-124 °C
Siedepunkt: 338.5 · 338.5±37.0 °C(Predicted)
Dichte: 1.298 · 1.298±0.06 g/cm3(Predicted)
storage temp.: 20 °C · Store at <= 20°C.
Aggregatzustand: Powder
pka: 17.05 · 17.05±0.50(Predicted)
Farbe: Beige to tan
Wasserlöslichkeit: soluble
InChI: InChI=1S/C3H5N3O/c4-1-2(5)3(6)7/h2H,5H2,(H2,6,7)
InChIKey: JRWAUKYINYWSTA-UHFFFAOYSA-N
SMILES: C(N)(=O)C(N)C#N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (88.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (88.4%)

Sicherheitsdaten

wgk: WGK 1 slightly water endangering
hs_code: 2926 90 70
risk_code: 34-23-51-36-22
Toxizität: LD50 orally in Rabbit: > 2000 mg/kg
hazard_code: T,Xi,Xn
hazard_note: Irritant
safety_code: 45-36/37/39-26
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung2-Amino-2-cyanoacetamide, a purine derivative with a diatomic molecule, has been shown to inhibit cancer cells in animals. It has been shown to inhibit the replication of plague virus, an RNA virus that causes encephalitis and other diseases in humans. The nitrogen atom on the molecule is responsible for its transport properties, including intestinal uptake and the ability to cross the blood-brain barrier.2-Amino-2-cyanoacetamide also inhibits the activity of amide hydrolase, an enzyme responsible for the hydrolysis of peptides into amino acids. This process results in reduced protein synthesis, which leads to cell death.

Verwenden2-Amino-2-cyanoacetamide is used as building block in chemical synthesis. Attributes Development Product Contact