2-Amino-2-cyanoacetamide
Basic information
- CAS
6719-21-7- Standard SMILES
N#CC(N)C(N)=O- InChIKey
JRWAUKYINYWSTA-UHFFFAOYSA-N- Molecular formula
- C3H5N3O
- Average molar mass
- 99.09 g/mol
- Monoisotopic mass
- 99.04326179
Names & identifiers
- Preferred name
- 2-Amino-2-cyanoacetamide
- IUPAC
- 2-amino-2-cyanoacetamide
- English name
- 2-Amino-2-cyanoacetamide
- Molecular formula
- C3H5N3O
- Molecular weight
- 99.09
Names & synonyms
2-Amino-2-cyanoacetamide6719-21-7AminocyanoacetamideAcetamide, 2-amino-2-cyano-2-AminocyanoacetamideAminocyanacetamidea-Amino-a-cyanoacetamideEINECS 229-771-3NSC 108868RefChem:85068229-771-3JRWAUKYINYWSTA-UHFFFAOYSA-N
Show more names
ACATIMTEC-BB SBB0015012-Amino-2-cyanacetamid2-cyano-2-aminoacetamide2-Amino-2-cyanoacetamide 97%
MFCD000405323-nitriloalaninamideAmino(carbamoyl)acetonitrile(S)-2-Amino-2-cyanoacetamide2091785-71-43nitriloalaninamideNSC1088682-amino-cyanoacetamide
Database identifiers
- CAS
6719-21-7- PubChem CID
- 98341
- DTXSID
DTXSID101313188- EC Number
- 229-771-3
- Nikkaji
- J298.081I
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 120 · 120-124 °C
- Boiling point
- 338.5 · 338.5±37.0 °C(Predicted)
- Density
- 1.298 · 1.298±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · Store at <= 20°C.
- form
- Powder
- pka
- 17.05 · 17.05±0.50(Predicted)
- color
- Beige to tan
- Water Solubility
- 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
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 312 · H312+H332-H315-H319-H335-H411
- Precautionary statements
- 261 · P261-P273-P280-P302+P352+P312-P304+P340+P312-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (88.4%)
Safety data
- wgk
- WGK 1 slightly water endangering
- hs_code
- 2926 90 70
- Toxicity
- LD50 orally in Rabbit: > 2000 mg/kg
- risk_code
- 34-23-51-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- T,Xi,Xn
- hazard_note
- Irritant
- safety_code
- 45-36/37/39-26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H312+H332-H315-H319-H335-H411
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
Description2-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.
Uses2-Amino-2-cyanoacetamide is used as building block in chemical synthesis. Attributes Development Product Contact
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
25 records
Compound notes
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