2-Amino-2-cyanoacetamide (HCID 98341)

名称と識別子

優先名称: 2-Amino-2-cyanoacetamide
IUPAC: 2-amino-2-cyanoacetamide
現地名: 2-アミノ-2-シアノアセトアミド
英語名: 2-Amino-2-cyanoacetamide
分子式: C3H5N3O
分子量: 99.09

名称と別名

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

名称をさらに表示

2-アミノ-2-シアノアセトアミドアミノシアノアセトアミド２アミノ２シアノアセトアミド2‐アミノ‐2‐シアノアセトアミド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

データベース識別子

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

物性

構造計算による物性

XLogP: -1.8
極性表面積: 92.9 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 7
形式電荷: 0
複雑度: 121

物理化学的性質

融点: 120 · 120-124 °C
沸点: 338.5 · 338.5±37.0 °C(Predicted)
比重(密度): 1.298 · 1.298±0.06 g/cm3(Predicted)
貯蔵温度: 20 °C · Store at <= 20°C.
外見: 粉
酸解離定数(Pka): 17.05 · 17.05±0.50(Predicted)
色: ベージュからタン
水溶解度: 溶ける
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

化学的性質

化学的特性Beige Powder

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (88.4%)

安全データ

wgk: WGK 1 slightly water endangering
毒性: LD50 orally in Rabbit: > 2000 mg/kg
hs_code: 2926 90 70
risk_code: 34-23-51-36-22
hazard_code: T,Xi,Xn
hazard_note: Irritant
safety_code: 45-36/37/39-26
毒劇物取締法: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

説明2-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.

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