CAS 298181-83-6 8-Amino-5,6,7,8-tetrahydroquinoline (HCID 11355564)

基本情報

CAS: 298181-83-6
標準SMILES: NC1CCCc2cccnc21
InChIKey: JQGOUNFVDYUKMM-UHFFFAOYSA-N
分子式: C9H12N2
平均分子量: 148.2 g/mol
単同位体質量: 148.10004839

名称と識別子

優先名称: 8-Amino-5,6,7,8-tetrahydroquinoline
IUPAC: 5,6,7,8-tetrahydroquinolin-8-amine
英語名: 5,6,7,8-TETRAHYDROQUINOLIN-8-AMINE
分子式: C9H12N2
分子量: 148.21

名称と別名

8-AMINO-5,6,7,8-TETRAHYDROQUINOLINERefChem:5279185,6,7,8-tetrahydroquinolin-8-amine298181-83-65,6,7,8-tetrahydro-8-quinolinamine5,6,7,8-TETRAHYDRO-QUINOLIN-8-YLAMINEMFCD082349828-Quinolinamine, 5,6,7,8-tetrahydro-370594-26-6(R)-5,6,7,8-tetrahydro-quinolin-8-ylamine(S)-5,6,7,8-tetrahydro-quinolin-8-ylamineSCHEMBL1219114

名称をさらに表示

8-Amino-5AKOS BB-87105,6,7,8-tetrahydroquinolin-2-amine8-quinolinamine,5,6,7,8-tetrahydro5,6,7,8-Tetrahydro-8-aminoquinoline8-Quinolinamine,5,6,7,8-tetrahydro-(9CI)

SCHEMBL29668911DTXSID80463255JQGOUNFVDYUKMM-UHFFFAOYSA-NRB3334AKOS004118052CS-W008579MB05927SB36450

データベース識別子

CAS: 298181-83-6
PubChem CID: 11355564
DTXSID: DTXSID80463255
EC Number: 990-939-0
Nikkaji: J1.962.076J

物性

構造計算による物性

XLogP: 0.5
極性表面積: 38.9 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 136

物理化学的性質

沸点: 277.3 · 277.3±28.0 °C(Predicted)
比重(密度): 1.081 · 1.081±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): 8.93 · 8.93±0.20(Predicted)

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 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+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 1 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.