N-メチルアリルアミン

N-Methylallylamine

HCID 69391CAS 627-37-2

部分構造検索類似構造を探す

基本情報

標準SMILES: C=CCNC
InChIKey: IOXXVNYDGIXMIP-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: N-Methylallylamine
IUPAC: N-methylprop-2-en-1-amine
現地名: N-メチルアリルアミン
英語名: N-Allylmethylamine
分子式: C4H9N
分子量: 71.12

名称と別名

N-MethylallylamineMethylallylamineRefChem:830664210-996-0N-Allylmethylamine627-37-22-Propen-1-amine, N-methyl-N-methylprop-2-en-1-amineAllylmethylamineN-Allyl-N-methylamineN-Methyl-2-propen-1-aminemethyl(prop-2-en-1-yl)amine

名称をさらに表示

2-プロペニルメチルアミンメチルアリルアミンN-メチルアリルアミンN-メチル-2-プロペン-1-アミンN-アリルメチルアミンN-アリル-N-メチルアミンメチル(プロパ-2-エン-1-イル)アミンMethylallylalminen-methyl-allylamin2-Propennylmethylamine

EINECS 210-996-0N-methyl-N-allylamineAllylamine, N-methyl-MFCD00008641allylmethyl amineAllylamine, N-methyl- (7CI,8CI)methyl allyl amineAllyl methyl amine

データベース識別子

CAS: 627-37-2
PubChem CID: 69391
DTXSID: DTXSID8073219
ChEMBL: CHEMBL3558338
UNII: JXA5N62PYD
EC Number: 210-996-0
Nikkaji: J514B

物性

構造計算による物性

XLogP: 0.4
極性表面積: 12 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: 2
重原子数: 5
形式電荷: 0
複雑度: 24.8

実験および物理化学的性質

SpringerMaterials PropertiesCoriolis coupling

物理化学的性質

沸点: 64 · 64-66 °C(lit.)
比重(密度): 0.741 g/mL · 0.741 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.412(lit.)
闪点: 19 °F · −19 °F
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 9.88 · 9.88±0.10(Predicted)
外見: liquid
色: Clear, pale yellow
水溶解度: 水と混和します。
BRN: 1098387 · 1098387
InChI: InChI=1S/C4H9N/c1-3-4-5-2/h3,5H,1,4H2,2H3
InChIKey: IOXXVNYDGIXMIP-UHFFFAOYSA-N
SMILES: C(NC)C=C
NISTの化学物質情報: 2 · CH2=CHCH2NHCH3(627-37-2)
EPAの化学物質情報: 2 · 2-Propen-1-amine, N-methyl- (627-37-2)

化学的性質

化学的特性Colorless to light yellow liqui

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 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 CategoriesFlam. Liq. 2 (100%)

安全データ

F: 9-34
wgk: 3
rtecs: UC6632500
ridadr: UN 3286 3/PG 2
hs_code: 29211990
risk_code: 11-23/24/25-34
hazard_code: F,T
safety_code: 26-36/37/39-45-37/39
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 3 OralFlam. Liq. 2Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 1 件

使用N-Allylmethylamine is used in the production of N-allyl-alfa,alfa-dichloro-N-methylacetamide. It is used as a functional monomer to coordinate with Cd(II)/Zn(II) ions to get the poly methyl methacrylate -butyl methacrylate - N-allylmethylamine (PMBA) films, which is useful as building blocks to fabricate a photo-catalytic cell.