3-(1H-インドール-3-イル)-1-プロパンアミン

1H-indole-3-propylamine

HCID 28989CAS 6245-89-2

部分構造検索類似構造を探す

基本情報

標準SMILES: NCCCc1c[nH]c2ccccc12
InChIKey: OOIAXMPVZJKJHK-UHFFFAOYSA-N
分子式: C11H14N2
平均分子量: 174.24 g/mol
単同位体質量: 174.11569846

名称と識別子

優先名称: 1H-indole-3-propylamine
IUPAC: 3-(1H-indol-3-yl)propan-1-amine
現地名: 3-(1H-インドール-3-イル)-1-プロパンアミン
英語名: 1H-indole-3-propylamine
分子式: C11H14N2
分子量: 174.24

名称と別名

6245-89-21H-Indole-3-propanamine1H-Indole-3-propylamineEINECS 228-361-1DTXSID00211492RefChem:438739DTXCID00133983228-361-1(1H-Indol-3-yl)-1-propanamine3-(1H-indol-3-yl)propan-1-amineMFCD00130194Homotryptamine

名称をさらに表示

1H-インドール-3-プロパン-1-アミン3-(1H-インドール-3-イル)-1-プロパンアミン(1H-インドール-3-イル)-1-プロパンアミン3-(1H-インドール-3-イル)プロパン-1-アミンN-propyl-1H-indol-3-amine1H-Indole-3-propan-1-amine

(1H-lndol-3-yl)-1-propanamine3-indol-3-ylpropylamine3-(3-aminopropyl)indole3-(Indol-3-yl)propanamineOprea1_526363SCHEMBL735189SCHEMBL50006813-(1H-indol-3-yl)propylamine

データベース識別子

CAS: 6245-89-2
PubChem CID: 28989
DTXSID: DTXSID00211492
ChEMBL: CHEMBL2229708
EC Number: 228-361-1
Nikkaji: J211.473I

物性

構造計算による物性

XLogP: 1.9
極性表面積: 41.8 Å²
水素結合供与体数: 2
水素結合受容体数: 1
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 158

物理化学的性質

融点: 64 °C · 64 °C
沸点: 353.7 · 353.7±25.0 °C(Predicted)
比重(密度): 1.125 · 1.125±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 17.29 · 17.29±0.30(Predicted)

化学的性質

化学的特性Light yellow powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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.