N-イソプロピルエチレンジアミン

N-Isopropylethylenediamine

HCID 88098CAS 19522-67-9

基本情報

標準SMILES: CC(C)NCCN
InChIKey: KDRUIMNNZBMLJR-UHFFFAOYSA-N
分子式: C5H14N2
平均分子量: 102.18 g/mol
単同位体質量: 102.11569845

概要

2-isopropylaminoethylamine is a primary aliphatic amine that is ethane-1,2-diamine substituted by an isopropyl group at the N atom. It has a role as a human metabolite. It is a primary aliphatic amine and a secondary aliphatic amine.

名称と識別子

優先名称: N-Isopropylethylenediamine
IUPAC: N'-propan-2-ylethane-1,2-diamine
現地名: N-イソプロピルエチレンジアミン
英語名: N-Isopropylethylenediamine
分子式: C5H14N2
分子量: 102.18

名称と別名

N-Isopropylethylenediamine2-IsopropylaminoethylamineEINECS 243-125-8NSC 842301,2-Ethanediamine, N1-(1-methylethyl)-DTXSID8066505CHEBI:84288N-(propan-2-yl)ethane-1,2-diamineRefChem:163625DTXCID2036114243-125-8KDRUIMNNZBMLJR-UHFFFAOYSA-N

名称をさらに表示

N-イソプロピルエチレンジアミンN-イソプロピル-1,2-エタンジアミンN-イソプロピルエタン-1,2-ジアミンN-(2-アミノエチル)-N-イソプロピルアミンRARECHEM AL BW 2006N-Isopropylethylediamine2-(ISOPROPYLAMINO)ETHYLAMINE2-aminoethyl-isopropyl-amineN-Isopropyl-1,2-ethanediamine

19522-67-9N1-isopropylethane-1,2-diamine(2-Aminoethyl)(Propan-2-Yl)AmineIsopropylaminoethylamine1,2-Ethanediamine, N-(1-methylethyl)-N'-propan-2-ylethane-1,2-diamineEthylenediamine, N-isopropyl-N-Isopropylethane-1,2-diamine

データベース識別子

CAS: 19522-67-9
PubChem CID: 88098
DTXSID: DTXSID8066505
ChEBI: CHEBI:84288
EC Number: 243-125-8
Nikkaji: J150.020A

物性

構造計算による物性

XLogP: -0.3
極性表面積: 38.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 7
形式電荷: 0
複雑度: 35.1

物理化学的性質

融点: -30.89 °C · -30.89°C (estimate)
沸点: 135 · 135-137 °C
比重(密度): 0.819 g/mL · 0.819 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.436(lit.)
闪点: 43 °F · 43 °F
貯蔵温度: Flammables area
酸解離定数(Pka): 10.08 · 10.08±0.29(Predicted)
外見: clear liquid
色: Colorless to Almost colorless
比重: 0.819 · 0.819
BRN: 1732183 · 1732183
InChI: 1S/C5H14N2/c1-5(2)7-4-3-6/h5,7H,3-4,6H2,1-2H3
InChIKey: KDRUIMNNZBMLJR-UHFFFAOYSA-N
SMILES: CC(C)NCCN
CAS データベース: 19522 · 19522-67-9(CAS DataBase Reference)
NISTの化学物質情報: N-isopropylethylenediamine(19522-67-9)
EPAの化学物質情報: 1 · 1,2-Ethanediamine, N-(1-methylethyl)- (19522-67-9)

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 (90.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.