Basic information
- CAS
3473-63-0- Standard SMILES
CC(=O)O.N=CN- InChIKey
XPOLVIIHTDKJRY-UHFFFAOYSA-N- Molecular formula
- C2H4O2.CH4N2
- Average molar mass
- 104.11 g/mol
Names & identifiers
- Preferred name
- Formamidine acetate
- IUPAC
- acetic acid;methanimidamide
- English name
- Formamidine acetate
- Molecular formula
- C3H8N2O2
- Molecular weight
- 104.11
Names & synonyms
Show more names
Database identifiers
- CAS
3473-63-0- PubChem CID
- 160693
- UNII
- VX3J2EM4N7
- EC Number
- 222-442-5
Properties
Computed structural properties
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 41.3
Physicochemical properties
- Melting point
- 158 · 158-161 °C (dec.)(lit.)
- Density
- 1.124 · 1.124
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 832 g/l · 832g/l
- form
- Liquid
- color
- Clear colorless to light yellow
- PH
- 8 · 8 (400g/l, H2O, 20℃)
- Water Solubility
- 832 g/L · 832 g/L (21 ºC)
- Sensitive
- Hygroscopic
- 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 DataBase Reference
- 3473 · 3473-63-0(CAS DataBase Reference)
- FDA UNII
- 3 J2EM4N7 · VX3J2EM4N7
- EPA Substance Registry System
- Methanimidamide, monoacetate (3473-63-0)
- UNSPSC Code
- 12352107 · 12352107
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P362+P364
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43-36/37/38
- Safety Statements
- 36 · 36/37-37/39-26-36/37/39-27
- WGK Germany
- 2 · 2
- F
- 3 · 3-9-21
- Autoignition Temperature
- 565 °C · 565 °C
- TSCA
- TSCA listed
- HS Code
- 29252000 · 29252000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 · Skin Sens. 1
- Toxicity
- 50 orally · LD50 orally in Rabbit: 2510 mg/kg LD50 dermal Rat > 2000 mg/kg
- REACH Registrations
- Active
Safety & regulation
GHS classification
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.
Hazard information
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
Safety data
- F
- 3-9-21
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29252000
- Toxicity
- LD50 orally in Rabbit: 2510 mg/kg LD50 dermal Rat > 2000 mg/kg
- risk_code
- 43-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37-37/39-26-36/37/39-27
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317
- REACH Registrations
- Active
- Hazard Classifications
- Skin Sens. 1
- Autoignition Temperature
- 565 °C
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P362+P364
Chemistry & industry
Uses & manufacturing
Applications
DescriptionFormamidine 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.
UsesFormamidine 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.
UsesFormamidine acetate salt is widely used in the preparation of formamidinium lead triiodide (FAPbI3) perovskites for perovskite solar cells. It is also used in the synthesis of formamidinium lead bromide nanocrystals for use as emitters in display applications.
Upstream & downstream products
Downstream products
Suppliers100 total
Related reactions
Compound notes
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