2-メチル-2-プロペニルアミン

2-Methylallylamine

HCID 76141CAS 2878-14-0

部分構造検索類似構造を探す

基本情報

標準SMILES: C=C(C)CN
InChIKey: VXDHQYLFEYUMFY-UHFFFAOYSA-N
分子式: C4H9N
平均分子量: 71.12 g/mol
単同位体質量: 71.07349929

名称と識別子

優先名称: 2-Methylallylamine
IUPAC: 2-methylprop-2-en-1-amine
現地名: 2-メチル-2-プロペニルアミン
英語名: 2-Methylallylamine
分子式: C4H9N
分子量: 71.12

名称と別名

2-Methylallylamine2878-14-02-Methylprop-2-en-1-ylamineFHJ35WE6DGEINECS 220-724-2NSC-32610(2-METHYLALLYL)AMINEDTXSID80182954NSC 32610RefChem:475939DTXCID20105445220-724-2

名称をさらに表示

2-メチル-2-プロペン-1-アミン2-メチル-2-プロペニルアミン(2-メチル-2-プロペニル)アミン2-メチルアリルアミン3-アミノ-2-メチル-1-プロペン2‐メチルアリルアミンメタリルアミン2-メチルプロパ-2-エン-1-アミンAKOS 91389JACS-2878-14-02-Methylallylamine>2-Methylallylamine 98%2-Methylallylamine,97%2-Methyl allyl aMine HCl2-methylallylamine, 98 %

2-methylprop-2-en-1-amineMethallylamineMFCD000536462-Propen-1-amine, 2-methyl-2-Propen-1-amine, 2-methyl- (9CI)UNII-FHJ35WE6DG3-Amino-2-methyl-1-propeneCH2=C(CH3)CH2NH2

データベース識別子

CAS: 2878-14-0
PubChem CID: 76141
DTXSID: DTXSID80182954
UNII: FHJ35WE6DG
EC Number: 220-724-2
Nikkaji: J306.799H

物性

構造計算による物性

XLogP: 0.6
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: 5
形式電荷: 0
複雑度: 38.9

物理化学的性質

沸点: 78 °C · 78 °C
比重(密度): 0.78 · 0.78
屈折率: 1.429 · 1.429-1.432
闪点: -28 °C · -28 °C
貯蔵温度: 0 · 0-6°C
外見: 液体
酸解離定数(Pka): 9.45 · 9.45±0.29(Predicted)
色: 無色透明
InChI: InChI=1S/C4H9N/c1-4(2)3-5/h1,3,5H2,2H3
InChIKey: VXDHQYLFEYUMFY-UHFFFAOYSA-N
SMILES: C(N)C(C)=C
NISTの化学物質情報: 2 · 2-Propen-1-amine, 2-methyl-(2878-14-0)

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (83.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 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

Hazard Classes and CategoriesFlam. Liq. 2 (83.3%)

安全データ

wgk: 3
ridadr: 1992
hs_code: 29211990
risk_code: 36/37/38-11-36-22
消防法: 危-4-1-II
hazard_code: Xi-F,F,Xi,C,Xn
hazard_note: Highly Flammable/Irritant
safety_code: 37/39-26-16
hazard_class: FLAMMABLE, CORROSIVE
packing_group: II
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用2-Methylallylamine is an intermediate used in the synthesis of urea-containing FK506 binding protein inhibitors. It is also used to prepare benzothiazepine dioxides with HIV-1 protease inhibitory activities. It is dehydrogenated to methacrylonitrile over a silver catalyst. Copolymerization of methallylamine with acrylonitrile increases the affinity of polyacrylonitrile fibers for dyes.