3-Butyn-2-amine, 2-methyl- (HCID 76319)

名称と識別子

優先名称: 3-Butyn-2-amine, 2-methyl-
IUPAC: 2-methylbut-3-yn-2-amine
現地名: 1,1-ジメチル-2-プロピニルアミン
英語名: 1,1-Dimethylpropargylamine
分子式: C5H9N
分子量: 83.13

名称と別名

2978-58-73-Butyn-2-amine, 2-methyl-1,1-Dimethylpropargylamine2-Methyl-3-butyn-2-amine1,1-DimethylpropynylamineEINECS 221-029-730-D-11EC 221-029-7DTXSID1062752RefChem:93309DTXCID20380712-Propynylamine, 1,1-dimethyl-(6CI,7CI,8CI)

名称をさらに表示

1,1-ジメチル-2-プロピニルアミン3-アミノ-3-メチル-1-ブチン3-メチル-1-ブチン-3-アミン2-メチル-3-ブチン-2-アミン1,1-ジメチルプロパルギルアミン1,1-ジメチルプロパルギルアミン, 95%1,1-ジメチルプロパギルアミン3-AMINO-3-METHYLBUTYNE1,1-Dimethyl-2-propynylamineGolpanol MPACBI-BB ZERO/005787TIMTEC-BB SBB000001

VUGCBIWQHSRQBZ-UHFFFAOYSA-N2-methylbut-3-yn-2-amine3-Amino-3-methyl-1-butyne1,1-Dimethylprop-2-ynylamine1,1-Dimethyl-prop-2-ynylamine1,1-Dimethylprop-3-ynylamineMFCD000080522-methylbut-3-yn-2-ylamine

データベース識別子

CAS: 2978-58-7
PubChem CID: 76319
DTXSID: DTXSID1062752
EC Number: 221-029-7
Nikkaji: J35.162H

物性

構造計算による物性

XLogP: 0
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 6
形式電荷: 0
複雑度: 83.4

物理化学的性質

融点: 18 °C · 18°C
沸点: 79 · 79-80 °C/760 mmHg
比重(密度): 0.79 g/mL · 0.79 g/mL at 25 °C
蒸気圧: 68.7 hPa · 68.7hPa at 20℃
屈折率: 1.422 · 1.422-1.425
闪点: 2 °C · 2 °C
貯蔵温度: 2 · 2-8°C
外見: 液体
酸解離定数(Pka): 8.67 · 8.67±0.25(Predicted)
色: 無色透明～黄色
水溶解度: 水に非常に溶けやすい。
InChI: 1S/C5H9N/c1-4-5(2,3)6/h1H,6H2,2-3H3
InChIKey: VUGCBIWQHSRQBZ-UHFFFAOYSA-N
SMILES: CC(C)(N)C#C
LogP: 0.26 at · 0.26 at 23℃
CAS データベース: 2978 · 2978-58-7(CAS DataBase Reference)
NISTの化学物質情報: 3 · 3-Butyn-2-amine, 2-methyl-(2978-58-7)
EPAの化学物質情報: 3 · 3-Butyn-2-amine, 2-methyl- (2978-58-7)

化学的性質

化学的特性Clear colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (99.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P342+P316, P363, P370+P378, P403, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 209 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 3-Butyn-2-amine, 2-methyl-

Status: Active Update: 29-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23290

Hazard Classes and CategoriesFlam. Liq. 2 (99.5%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: ER9543533
ridadr: UN 2733
毒性: LD50 oral in rat: 1470mg/kg
hs_code: 29211999
risk_code: 36/37/38-34-22-11-43
hazard_code: Xi,C,F
safety_code: 26-36/37/39-45-16
hazard_class: 3.1
packing_group: II
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 2Resp. Sens. 1Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing Information3-Butyn-2-amine, 2-methyl-: ACTIVE

応用分野

使用1,1-Dimethylpropargylamine is used as an organic chemical synthesis intermediate.

調製方法 · 1 件

純化方法Dissolve the amine in Et2O, dry over anhydrous K2CO3, filter, evaporate and distil (preferably under N2). Store it away from CO2. The hydrochloride [2978-59-8] has m 234o (from EtOH/Et2O). The benzoyl derivative has m 152-153o (from EtOH). [Hennion & Teach J Am Chem Soc 75 1653 1953, Hennion & DiGiovanna J Org Chem 30 2645 1965.]