2,3-ジヒドロ-1,4-ベンゾジオキシン-6-メタンアミン

2,3-Dihydro-1,4-benzodioxin-6-methylamine

HCID 87102CAS 17413-10-4

部分構造検索類似構造を探す

基本情報

標準SMILES: NCc1ccc2c(c1)OCCO2
InChIKey: FUDYRLUSXBRPIA-UHFFFAOYSA-N
分子式: C9H11NO2
平均分子量: 165.19 g/mol
単同位体質量: 165.07897859

名称と識別子

優先名称: 2,3-Dihydro-1,4-benzodioxin-6-methylamine
IUPAC: 2,3-dihydro-1,4-benzodioxin-6-ylmethanamine
現地名: 2,3-ジヒドロ-1,4-ベンゾジオキシン-6-メタンアミン
英語名: 2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLMETHYLAMINE
分子式: C9H11NO2
分子量: 165.19

名称と別名

17413-10-42,3-Dihydro-1,4-benzodioxin-6-methylamineDTXSID80169765EINECS 241-440-52,3-Dihydro-1,4-benzodioxin-6-methanamineRefChem:442172DTXCID9092256241-440-5(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)methanamine2,3-Dihydro-1,4-benzodioxin-6-ylmethylamine1,4-benzodioxin-6-methanamine, 2,3-dihydro-2,3-dihydro-1,4-benzodioxin-6-ylmethanamine

名称をさらに表示

2,3-ジヒドロ-1,4-ベンゾジオキシン-6-メタンアミン2,3-ジヒドロ-1,4-ベンゾジオキシン-6-イルメチルアミン1-(2,3-ジヒドロ-1,4-ベンゾジオキシン-6-イル)メタンアミンCompound Fr14522BUTTPARK 95\50-64RARECHEM AL BW 17442,3-Dihydro-1,4-benzodiacin-6-ylMethylaMine

6-(Aminomethyl)-1,4-benzodioxaneMFCD026776843,4-Ethylenedioxybenzylamine1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine1,4-Benzodioxin-6-methanamine,2,3-dihydro-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amine(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine3-Fluor-salicylald

データベース識別子

CAS: 17413-10-4
PubChem CID: 87102
DTXSID: DTXSID80169765
ChEMBL: CHEMBL4579007
UNII: VY2VGK4A37
EC Number: 241-440-5
Nikkaji: J287.043F

物性

構造計算による物性

XLogP: 0.7
極性表面積: 44.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 151

物理化学的性質

沸点: 109 °C · 109 °C
比重(密度): 1.194 · 1.194±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: liquid
酸解離定数(Pka): 9.31 · 9.31±0.29(Predicted)
色: Yellow
InChI: 1S/C9H11NO2/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4,6,10H2
InChIKey: FUDYRLUSXBRPIA-UHFFFAOYSA-N
SMILES: NCc1ccc2OCCOc2c1
CAS データベース: 17413 · 17413-10-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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