N-Methylisopropylamine (HCID 78485)

名称と識別子

優先名称: N-Methylisopropylamine
IUPAC: N-methylpropan-2-amine
現地名: メチルイソプロピルアミン
英語名: N-Isopropylmethylamine
分子式: C4H11N
分子量: 73.14

名称と別名

N-Isopropylmethylamine4747-21-1N-MethylisopropylamineMethylisopropylamineIsopropylmethylamine2-MethylaminopropaneN-Isopropyl-N-methylamineEthylamine, N,1-dimethyl-N-methyl-2-propanamineN-methyl-N-isopropylamineJ3OL90426Gmethyl(1-methylethyl)amine

名称をさらに表示

N-メチルイソプロピルアミンN-メチルプロパン-2-アミンメチルイソプロピルアミンイソプロピルメチルアミンN-メチル-2-プロパンアミンN-イソプロピルメチルアミンメチル(プロパン-2-イル)アミンMIPAN-methylpropan-2-amineN-Isopropylmethylamiisopropyl-methyl-amine

NSC 1065EINECS 225-266-7N,1-DimethylethylamineNSC-1065EC 225-266-72-(METHYLAMINO)PROPANEISOPROPYLAMINE, N-METHYL-DTXSID80871098

データベース識別子

CAS: 4747-21-1
PubChem CID: 78485
DTXSID: DTXSID80871098
UNII: J3OL90426G
EC Number: 225-266-7
Nikkaji: J121.770D

物性

構造計算による物性

XLogP: 0.6
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: 1
重原子数: 5
形式電荷: 0
複雑度: 17.6

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

物理化学的性質

融点: -55.1 °C · -55.1°C (estimate)
沸点: 50 · 50-53 °C (lit.)
比重(密度): 0.702 g/mL · 0.702 g/mL at 25 °C (lit.)
蒸気圧: 4.15 psi · 4.15 psi ( 20 °C)
屈折率: 20 · n20/D 1.384(lit.)
闪点: 25 °F · −25 °F
貯蔵温度: Refrigerator, Under Inert Atmosphere
溶解性: クロロホルム、DMSO、メタノールに可溶。
外見: 液体
酸解離定数(Pka): 10.76 · 10.76±0.10(Predicted)
比重: 0.702 · 0.702
色: 無色
BRN: 1730877 · 1730877
Henry's Law Constant: 1.6 · 1.6×10-1 mol/(m3Pa) at 25℃, Gharagheizi et al. (2012)
安定性: Volatile
InChI: 1S/C4H11N/c1-4(2)5-3/h4-5H,1-3H3
InChIKey: XHFGWHUWQXTGAT-UHFFFAOYSA-N
SMILES: CNC(C)C
LogP: 0.52 at · 0.52 at 25℃
CAS データベース: 4747 · 4747-21-1(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Propanamine, N-methyl-(4747-21-1)

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

Aggregated GHS information provided per 148 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 16-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10466

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

安全データ

F: 9-23
wgk: 3
ridadr: UN 2734 8/PG 1
hs_code: 29211990
risk_code: 11-34
消防法: 危-4-1-II
hazard_code: F,C
safety_code: 16-26-36/37/39-45
hazard_class: 3.1
packing_group: II
Hazard Classifications: Acute Tox. 2 OralAcute Tox. 3 InhalationEye Dam. 1Flam. Liq. 2Skin Corr. 1A
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用N-Isopropylmethylamine is used in the generation of in situ micelles having distinct sizes, by sequential self-assembly of a series of stimuli-responsive amphiphilic block copolymers, prepared by reversible addition-fragmentation chain transfer (RAFT) polymerization. It is suitable for use in the synthesis of novel 5-ethoxy-N,N-dialkyl-[α,α,β,β-H4]-tryptamines and their [α,α,β,β,β-D4]-counterparts following the Speeter and Anthony procedure.

一般的な説明N-Isopropylmethylamine is an unsymmetrical amine. Pd/C-catalyzed oxidative cross double carbonylation of N-isopropylmethylamine with alcohols has been reported.