2-アミノ-2-メチルプロパンニトリル

2-Amino-2-methylpropionitrile

HCID 88022CAS 19355-69-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(N)C#N
InChIKey: JQULXIOYDDCNGR-UHFFFAOYSA-N
分子式: C4H8N2
平均分子量: 84.12 g/mol
単同位体質量: 84.06874826

名称と識別子

優先名称: 2-Amino-2-methylpropionitrile
IUPAC: 2-amino-2-methylpropanenitrile
現地名: 2-アミノ-2-メチルプロパンニトリル
英語名: 2-AMINO-2-METHYL-PROPIONITRILE
分子式: C4H8N2
分子量: 84.12

名称と別名

2-Amino-2-methylpropanenitrile19355-69-22-amino-2-methylpropionitrilePropanenitrile, 2-amino-2-methyl-2-Aminoisobutyronitrile2-CyanoisopropylamineVazo 64ANAminodimethylacetonitrile2-amino-2-cyanopropanePropionitrile, 2-amino-2-methyl-DTXSID0027804UNII-KA4O623NBV

名称をさらに表示

2-アミノ-2-メチルプロパンニトリルα-アミノ-α-メチルプロピオニトリル2-メチル-2-アミノプロピオノニトリル2-アミノ-2-メチルプロピオノニトリル2-amino-2-methylpropanenitrile hydrochlorideAKOS BC-2985IFLAB-BB F1983-0016α-AMinoisobutyronitrile

EINECS 242-989-3KA4O623NBV2-methyl-2-aminopropionitrile2-Methyl-2-aminopropanenitrileDTXCID9078041-CYANO-1-METHYLETHYLAMINE.ALPHA.-AMINO-.ALPHA.-METHYLPROPIONITRILERefChem:85085

データベース識別子

CAS: 19355-69-2
PubChem CID: 88022
DTXSID: DTXSID0027804
ChEMBL: CHEMBL3188413
UNII: KA4O623NBV
EC Number: 242-989-3
Nikkaji: J27.748G

物性

構造計算による物性

XLogP: -0.3
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: 6
形式電荷: 0
複雑度: 85

実験および物理化学的性質

Physical DescriptionCBI

物理化学的性質

沸点: 51 · 51-52 °C(Press: 15 Torr)
比重(密度): 0.885 g/cm3 · 0.885 g/cm3(Temp: 25 °C)
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
溶解性: DMSO (Sparingly), Methanol (Slightly)
外見: Oil
酸解離定数(Pka): 5.06 · 5.06±0.25(Predicted)
色: Colourless to Pale Yellow
CAS データベース: 19355 · 19355-69-2(CAS DataBase Reference)
EPAの化学物質情報: 2 · Propanenitrile, 2-amino-2-methyl- (19355-69-2)

化学的性質

化学的特性Colourless Oil

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301+H311+H331 (33.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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 Information · 1 件

Propanenitrile, 2-amino-2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanenitrile, 2-amino-2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)

安全データ

tsca: TSCA listed
ridadr: 3276
risk_code: 20/21/22-36/37/38-43-41-37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-39-36/37
hazard_class: IRRITANT

化学と産業

用途と製造

U.S. Production2023: 1,000,000 - <8,500,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Propanenitrile, 2-amino-2-methyl-: ACTIVE

上流・下流製品情報

上流原料

アセトンシアンヒドリンシアン化カリウム

下流製品

N-Cyano-N'-methyl-ethanimidamide 2-アミノ-2-メチルプロパンアミド 4-(2-CYANOPROPAN-2-YLAMINO)-2-FLUORO-N-METHYLBENZAMIDE 2-AMINO-2-METHYL-PROPIONITRILE HYDROCHLORIDE α,α-Dimethyl-1-piperidineacetonitrile 2,2'-アゾビス(イソブチロニトリル)

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