CAS 25419-06-1 N-Methylpentylamine (HCID 117479)

名称と識別子

優先名称: N-Methylpentylamine
IUPAC: N-methylpentan-1-amine
現地名: メチルペンチルアミン
英語名: N-Methylpentylamine
分子式: C6H15N
分子量: 101.19

名称と別名

N-Methylpentylamine25419-06-1Amylmethylamine1-Pentanamine, N-methyl-N-MethylamylaminePentylamine, N-methyl-MethylamylamineN-Methyl-n-pentylamineN-MethylpentanamineN-Methyl-n-amylamineN-Amyl-N-methylamineEINECS 246-966-9

名称をさらに表示

N-メチルペンタン-1-アミンメチルペンチルアミンN-メチルペンチルアミンN-メチル-1-ペンタンアミンN-ペンチルメチルアミンN-メチルペンチルアミン, 98%メチル(ペンチル)アミンN-AmylmethylamineN-Pentylmethylamine

DTXSID90180082RefChem:163878DTXCID00102573246-966-9UOIWOHLIGKIYFE-UHFFFAOYSA-NN-methylpentan-1-aminemethyl(pentyl)aminemethylpentylamine

データベース識別子

CAS: 25419-06-1
PubChem CID: 117479
DTXSID: DTXSID90180082
ChEMBL: CHEMBL298481
UNII: TTM7ZU82DV
EC Number: 246-966-9
Nikkaji: J121.773I

物性

構造計算による物性

XLogP: 1.6
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: 4
重原子数: 7
形式電荷: 0
複雑度: 27.4

実験および物理化学的性質

SpringerMaterials PropertiesDensity

物理化学的性質

融点: -87.87 °C · -87.87°C (estimate)
沸点: 116 · 116-118 °C (lit.)
比重(密度): 0.738 g/mL · 0.738 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.41(lit.)
闪点: 55 °F · 55 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: clear liquid
酸解離定数(Pka): 10.84 · 10.84±0.10(Predicted)
色: Colorless to Almost colorless
BRN: 1731333 · 1731333
Henry's Law Constant: 1.2 · 1.2×10-1 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: InChI=1S/C6H15N/c1-3-4-5-6-7-2/h7H,3-6H2,1-2H3
InChIKey: UOIWOHLIGKIYFE-UHFFFAOYSA-N
SMILES: C(NC)CCCC
LogP: 1.676 · 1.676 (est)
CAS データベース: 25419 · 25419-06-1(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Pentanamine, n-methyl-(25419-06-1)

化学的性質

化学的特性Colorless liquid

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, P264, P270, P280, P301+P316, 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 45 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

wgk: 3
ridadr: UN 2924 3/PG 2
hs_code: 29211990
risk_code: 11-22-34
消防法: 危-4-1-II
hazard_code: F,C
safety_code: 26-36/37/39-45-33-29-16-9
hazard_class: 3
packing_group: III
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-Methylpentylamine can be used as an organic structure-directing agent in the preparation of microporous silicoaluminophosphate (SAPO) molecular sieves. It can also be used as a reactant to synthesize: N′-tert-butyl-N-methyl-N-pentylsulfamide by reacting with triethylammonium N-tert-butylsulfamate in the presence of triphenylphosphine oxide and trifluoromethanesulfonic anhydride.1-methyl-3-(methylpentylamino)-4-(phenylseleno) 1H-pyrrole-2,5-dione (aminoarylselenated maleimide) by Cu-catalyzed four-component coupling reaction with methyl maleimide, Se powder and iodobenzene.