2-Amino-2-cyanoacetamide

HCID 98341CAS 6719-21-7
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CC(N)C(N)=O
InChIKey
JRWAUKYINYWSTA-UHFFFAOYSA-N
Molecular formula
C3H5N3O
Average molar mass
99.09 g/mol
Monoisotopic mass
99.04326178

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

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

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)

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Chemistry & industry

Applications · 2 items

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

Suppliers50 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
巨野现代精细化工有限公司+86-18958038633; +86-18958038633 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

25 records
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Linked notes

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