CAS 72-40-2 5-Aminoimidazole-4-carboxamide hydrochloride (HCID 66146)

名称と識別子

優先名称: 5-Aminoimidazole-4-carboxamide hydrochloride
IUPAC: 4-amino-1H-imidazole-5-carboxamide;hydrochloride
現地名: 5(4)-アミノ-4(5)-(アミノカルボニル)イミダゾール塩酸塩
英語名: 4-Amino-5-imidazolecarboxamide hydrochloride
分子式: C4H7ClN4O
分子量: 162.58

名称と別名

72-40-25-Amino-1H-imidazole-4-carboxamide hydrochloride5-Aminoimidazole-4-carboxamide hydrochloride5-aminoimidazole-4-carboxamide HCl5-Amino-1H-imidazole-4-carboxamide monohydrochlorideAICA HCI4-amino-5-imidazole carboxamide hydrochlorideAICA HYDROCHLORIDENSC-1134961H-Imidazole-4-carboxamide, 5-amino-, hydrochloride (1:1)220691X0M3DTXSID00883234

名称をさらに表示

5(4)-アミノ-4(5)-(アミノカルボニル)イミダゾール塩酸塩4-アミノ-5-イミダゾールカルボキシアミド塩酸塩5(4)-アミノ-4(5)-イミダゾールカルボキサミド塩酸塩4‐アミノ‐5‐カルバモイルイミダゾール塩酸塩4-アミノ-5-イミダゾールカルボキサミド塩酸塩5-アミノ-4-イミダゾールカルボキサミド塩酸塩4-アミノ-5-カルバモイルイミダゾール塩酸塩Dacarbazine Related CoMpound AAICAAICA HCLTIMTEC-BB SBB0039385-Amino-1H-imidazoLLABOTEST-BB LT00440910e-4-carboxamide hydrochLTemozolomide intermediate

5-AMINO-IMIDAZOLE-4-CARBOXAMIDE HYDROCHLORIDE SALTRefChem:532429DTXCID9010227834-Amino-5-imidazolecarboxamide hydrochloride5-Amino-4-imidazolecarboxamide hydrochlorideAIC .cntdot. HCl1H-Imidazole-4-carboxamide, 5-amino-, monohydrochloride4-Amino-5-Imidazolecarboxamide HCl

データベース識別子

CAS: 72-40-2
PubChem CID: 66146
DTXSID: DTXSID00883234
ChEMBL: CHEMBL1563748
UNII: 220691X0M3
EC Number: 200-778-3

物性

構造計算による物性

極性表面積: 97.8 Å²
水素結合供与体数: 4
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 126

物理化学的性質

融点: 250 · 250-252 °C (dec.)(lit.)
貯蔵温度: 2 · 2-8°C
溶解性: 50 mg/mL、透明、薄黄色 · 水：可溶50mg/mL、透明、薄黄色
外見: 結晶または結晶性粉末
色: 白い
水溶解度: 溶ける
BRN: 3701645 · 3701645
安定性: 吸湿性
InChI: InChI=1S/C4H6N4O.ClH/c5-3-2(4(6)9)7-1-8-3;/h1H,5H2,(H2,6,9)(H,7,8);1H
InChIKey: MXCUYSMIELHIQL-UHFFFAOYSA-N
SMILES: C1(N=CNC=1N)C(=O)N.Cl
CAS データベース: 72 · 72-40-2(CAS DataBase Reference)
NISTの化学物質情報: -4 · Imidazole-4(5)-carboxamide, 5-(4)-amino-, hydrochloride(72-40-2)
EPAの化学物質情報: 1 H-Imidazole-4-carboxamide, · 1H-Imidazole-4-carboxamide, 5-amino-, monohydrochloride (72-40-2)

化学的性質

化学的特性very slightly beige fine powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.

Warning

H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 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 CategoriesSkin Irrit. 2 (40%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: NI3911000
hs_code: 29332990
risk_code: 20/21/22-36/37/38
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 22-24/25-36-26
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information1H-Imidazole-4-carboxamide, 5-amino-, hydrochloride (1:1): INACTIVE

応用分野 · 3 件

用途有機合成原料。

使用5-Amino-4-imidazolecarboxamide hydrochloride was used in the synthesis of heterocyclic compounds such as guanine, purines and pyrimidines.

一般的な説明Corrosion inhibition and adsorption characteristics of 5-amino-4-imidazolecarboxamide hydrochloride on aluminum in 1M HCl has been investigated.

調製方法

純化方法Recrystallise the hydrochloride from EtOH. [Kuroda & Hakko JEst(1) Est(2)Heterocycl Chem 30 593 1993, Alhede et al. J Org Chem 56 2139 1991, Cheru et al. Heterocycles 24 1133 1992, Beilstein 25 II 221, 25 III/IV 4329.]