N-Methylhexylamine (HCID 37079)

名称と識別子

優先名称: N-Methylhexylamine
IUPAC: N-methylhexan-1-amine
現地名: メチル(ヘキシル)アミン
英語名: N-Methylhexylamine
分子式: C7H17N
分子量: 115.22

名称と別名

N-Methylhexylamine35161-70-7Hexylmethylamine1-Hexanamine, N-methyl-HEXYLAMINE, N-METHYL-Hexanamine, N-methyl-L24KKS9ZHCBRN 1731685EINECS 252-410-6n-Hexyl-N-methylamine4-04-00-00710 (Beilstein Handbook Reference)N-METHYL-1-AMINOHEXANE

名称をさらに表示

メチル(ヘキシル)アミンN-メチル-1-ヘキサンアミンN-メチルヘキシルアミンヘキシルメチルアミンメチルヘキシルアミンN-メチルヘキサン-1-アミンNメチルヘキシルアミンN-ヘキシルメチルアミンヘキシル(メチル)アミンMHAn-methyl-hexylaminn-methyl-hexanaminMethyl-n-hexylaminehexylamine,N-methyl-

DTXSID80188658RefChem:830721DTXCID40111149252-410-6N-methylhexan-1-aminen-Hexylmethylaminehexyl(methyl)amineN-n-Hexylmethylamine

データベース識別子

CAS: 35161-70-7
PubChem CID: 37079
DTXSID: DTXSID80188658
UNII: L24KKS9ZHC
EC Number: 252-410-6
Nikkaji: J40.628G

物性

構造計算による物性

XLogP: 2.1
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: 5
重原子数: 8
形式電荷: 0
複雑度: 35.4

実験および物理化学的性質

SpringerMaterials PropertiesDensity

物理化学的性質

融点: -38 °C · -38°C
沸点: 140 · 140-142 °C (lit.)
比重(密度): 0.76 g/mL · 0.76 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.416(lit.)
闪点: 73 °F · 73 °F
貯蔵温度: 2 · 2-8°C, protect from light
溶解性: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
外見: Oil
酸解離定数(Pka): 10.93 · 10.93±0.10(Predicted)
色: Colourless
BRN: 1731685 · 1731685
Henry's Law Constant: 8.3 · 8.3×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
安定性: Volatile
InChI: 1S/C7H17N/c1-3-4-5-6-7-8-2/h8H,3-7H2,1-2H3
InChIKey: XJINZNWPEQMMBV-UHFFFAOYSA-N
SMILES: CCCCCCNC

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

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

Aggregated GHS information provided per 41 reports by companies from 2 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. 3 (100%)

安全データ

F: 10
wgk: 3
rtecs: MQ5400000
ridadr: UN 2734 8/PG 2
risk_code: 10-22-34
化審法: 新規公示化学物質（2011年3月31日以前届出）
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 3.1
packing_group: II
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 2 件

使用N-Hexylmethylamine may be used in the synthesis of dialkyldithiocarbamato cadmium complexes Cd[S2CNRR′]2.

一般的な説明N-Hexylmethylamine is an acyclic secondary amine. Ruthenium-catalyzed reaction of N-hexylmethylamine with styrene has been reported. Transition metal-catalyzed intermolecular hydroamination of N-hexylmethylamine with 2-vinylnaphthalene has been reported.