2-アミノアセトニトリル

Aminoacetonitrile

HCID 10901

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 540-61-4
標準SMILES: N#CCN
InChIKey: DFNYGALUNNFWKJ-UHFFFAOYSA-N
分子式: C2H4N2
平均分子量: 56.07 g/mol
単同位体質量: 56.03744813

概要

Cyanomethylamine.

名称と識別子

優先名称: Aminoacetonitrile
IUPAC: 2-aminoacetonitrile
現地名: 2-アミノアセトニトリル
英語名: AMINOACETONITRILE
分子式: C2H4N2
分子量: 56.07

名称と別名

Aminoacetonitrile540-61-4GlycinonitrileCyanomethylamineACETONITRILE, AMINO-Glycinenitrile3739OQ10IJDTXSID90202314RefChem:112001DTXCID90124805208-751-82-Aminoacetonitrile

名称をさらに表示

アミノアセトニトリルグリシノニトリル2-アミノアセトニトリルアミノアセトリトリルα-アミノアセトニトリルSKL069Aminocyanomethaneamino-acetonitril

ami-noacetonitrileamino acetonitrileEINECS 208-751-8UNII-3739OQ10IJBRN 0773694H2NCH2CNC2H4N2amino-acetonitrile

データベース識別子

CAS: 540-61-4
PubChem CID: 10901
DTXSID: DTXSID90202314
ChEMBL: CHEMBL1193997
UNII: 3739OQ10IJ
EC Number: 208-751-8
Nikkaji: J70A

物性

構造計算による物性

XLogP: -1.4
極性表面積: 49.8 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 4
形式電荷: 0
複雑度: 39.2

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitriles

SpringerMaterials PropertiesSchoenflies notation

LogP-1.37

Vapor Pressure7.94 [mmHg]

Physical DescriptionOily liquid; [Merck Index]

物理化学的性質

融点: 101 °C · 101 °C
沸点: 15 · bp15 58° (partial decompn)
比重(密度): 0.7789 · 0.7789 (rough estimate)
屈折率: 1.418 · 1.4180 (estimate)
貯蔵温度: -20 °C · -20°C
外見: liquid
酸解離定数(Pka): 5.34 · 5.34(at 25℃)
InChI: InChI=1S/C2H4N2/c3-1-2-4/h1,3H2
InChIKey: DFNYGALUNNFWKJ-UHFFFAOYSA-N
SMILES: C(#N)CN
CAS データベース: 540 · 540-61-4
NISTの化学物質情報: 2 NH2 · NCCH2NH2(540-61-4)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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

Regulatory InformationChemical: Acetonitrile, amino-

Hazards SummaryMay cause irritation; [MSDSonline] See NITRILES.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

毒性情報

Adverse EffectsOther Poison - Chemical Asphyxiant

安全データ

wgk: 3
rtecs: AL7750000
ridadr: NA 1993 / PGIII
risk_code: 20/21/22-40
hazard_code: Xn
safety_code: 23-36
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

調製方法 · 1 件

Aminoacetonitrile is readily obtained as an aqueous solution by reacting an aqueous solution of glycolonitrile with liquid ammonia. The solution is stabilized by lowering the pH with small amounts of sulfuric acid. Aminoacetonitrile can also be isolated as the hydrochloride or sulfate. Aminoacetonitrile is usually further hydrolyzed by sodium hydroxide to the sodium salt of glycine, which in turn is neutralized to glycine.