Grundinformationen
- Standard-SMILES
CC(=O)O.N=CN- InChIKey
XPOLVIIHTDKJRY-UHFFFAOYSA-N- Summenformel
- C2H4O2.CH4N2
- Durchschnittliche Molmasse
- 104,11 g/mol
Namen und Bezeichner
- Bevorzugter Name
- Formamidine acetate
- IUPAC
- acetic acid;methanimidamide
- Lokaler Name
- Formamidinmonoacetat
- Englischer Name
- Formamidine acetate
- Summenformel
- C3H8N2O2
- Molmasse
- 104.11
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
3473-63-0- PubChem CID
- 160693
- UNII
- VX3J2EM4N7
- EC Number
- 222-442-5
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 87,2 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 41,3
Physikochemische Eigenschaften
- Schmelzpunkt
- 158 · 158-161 °C (dec.)(lit.)
- Dichte
- 1.124 · 1.124
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 832 g/l · 832g/l
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to light yellow
- PH
- 8 · 8 (400g/l, H2O, 20℃)
- Wasserlöslichkeit
- 832 g/L · 832 g/L (21 ºC)
- BRN
- 3563488 · 3563488
- InChI
- InChI=1S/C2H4O2.CH4N2/c1-2(3)4;2-1-3/h1H3,(H,3,4);1H,(H3,2,3)
- InChIKey
- XPOLVIIHTDKJRY-UHFFFAOYSA-N
- SMILES
- C(C)(=O)O.C(=N)N
- CAS Datenbank
- 3473 · 3473-63-0(CAS DataBase Reference)
- EPA chemische Informationen
- Methanimidamide, monoacetate (3473-63-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (12.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 103 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Methanimidamide, monoacetate
Status: Active Update: 27-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12119
Formamidine acetate: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- F
- 3-9-21
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29252000
- risk_code
- 43-36/37/38
- Toxizität
- LD50 orally in Rabbit: 2510 mg/kg LD50 dermal Rat > 2000 mg/kg
- hazard_code
- Xi
- safety_code
- 36/37-37/39-26-36/37/39-27
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Skin Sens. 1
- Selbstentzündungstemperatur
- 565 °C
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
BeschreibungFormamidine acetate is an anti-tuberculosis drug that belongs to the class of aminoglycosides. It has been shown to have a potent cytotoxic effect on malignant brain cells in vitro. It inhibits bacterial growth by binding to DNA-dependent RNA polymerase, thereby preventing transcription and replication. The high frequency of human activity has been shown using a patch-clamp technique on human erythrocytes. This active form is metabolized through a number of metabolic transformations, including hydrolysis by esterases or glucuronidases, oxidation by cytochrome P450 enzymes, reduction by glutathione reductase, or conjugation with glucuronic acid. It also specifically binds to markers expressed at high levels in Mycobacterium tuberculosis strains (e.g., ESX-1 secretion system protein) and inhibits cell growth in culture.
VerwendenFormamidine acetate is used as an intermediate in the synthesis of active pharmaceutical ingredients. It is also used as a condensing agent for the preparation of pyrimidine and imidazole heterocycles.
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