プロピルイソプロピルアミン

N-Isopropylpropylamine

HCID 89119CAS 21968-17-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCNC(C)C
InChIKey: VLSTXUUYLIALPB-UHFFFAOYSA-N
分子式: C6H15N
平均分子量: 101.19 g/mol
単同位体質量: 101.12044948

名称と識別子

優先名称: N-Isopropylpropylamine
IUPAC: N-propan-2-ylpropan-1-amine
現地名: プロピルイソプロピルアミン
英語名: N-Isopropylpropylamine
分子式: C6H15N
分子量: 101.19

名称と別名

N-Isopropylpropylamine21968-17-2N-Isopropyl-n-propylamine1-Propanamine, N-(1-methylethyl)-K1P2FY26ROn-n-propylisopropylaminePROPYLISOPROPYLAMINEn-isopropyl-n-(n-propyl)aminePROPYLAMINE, N-ISOPROPYL-DTXSID20176377EINECS 244-688-2RefChem:830200

名称をさらに表示

N-(1-メチルエチル)-1-プロパンアミンプロピルイソプロピルアミンN-プロピル-N-イソプロピルアミンIsopropylpropylamineisopropyl-propyl-amine2-Propanamine,N-propylPropylamine,N-isopropyl-

DTXCID3098868244-688-2N-Propyl-N-isopropylamineN-propan-2-ylpropan-1-amineN-isopropylpropan-1-amine(propan-2-yl)(propyl)amineMFCD00027095Propan-2-Yl(Propyl)Amine

データベース識別子

CAS: 21968-17-2
PubChem CID: 89119
DTXSID: DTXSID20176377
UNII: K1P2FY26RO
EC Number: 244-688-2
Nikkaji: J225.495F

物性

構造計算による物性

XLogP: 1.5
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: 3
重原子数: 7
形式電荷: 0
複雑度: 33

実験および物理化学的性質

Kovats Retention Index694

物理化学的性質

融点: -87.87 °C · -87.87°C (estimate)
沸点: 92 °C/96 · 92°C/96
比重(密度): 0.7232 · 0.7232
屈折率: 1.3958 · 1.3958
酸解離定数(Pka): 10.76 · 10.76±0.28(Predicted)
Henry's Law Constant: 1.4 · 1.4×10-1 mol/(m3Pa) at 25℃, Yaws (2003)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H224 (80%): Extremely flammable liquid and vapor [Danger Flammable liquids]；H225 (20%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.