7-アミノ-3,4-ジヒドロ-1(2H)-ナフタレノン

7-Amino-1,2,3,4-tetrahydronaphthalen-1-one

HCID 327177

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 22009-40-1
標準SMILES: Nc1ccc2c(c1)C(=O)CCC2
InChIKey: IDNLVJHOEZJNHW-UHFFFAOYSA-N
分子式: C10H11NO
平均分子量: 161.2 g/mol
単同位体質量: 161.08406397

名称と識別子

優先名称: 7-Amino-1,2,3,4-tetrahydronaphthalen-1-one
IUPAC: 7-amino-3,4-dihydro-2H-naphthalen-1-one
現地名: 7-アミノ-3,4-ジヒドロ-1(2H)-ナフタレノン
英語名: 7-AMINO-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
分子式: C10H11NO
分子量: 161.2

名称と別名

7-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONERefChem:545322696-582-422009-40-17-amino-3,4-dihydronaphthalen-1(2h)-one7-amino-1-tetralone7-Amino-alpha-tetralone7-amino-3,4-dihydro-2H-naphthalen-1-oneMFCD073698177-amino-3,4-dihydro-1(2h)-naphthalenone7-aminotetralone7-amino-tetralone

名称をさらに表示

7-アミノ-3,4-ジヒドロ-1(2H)-ナフタレノン7-アミノ-Α-テトラロン7-アミノ-1-テトラロン7-アミノ-1,2,3,4-テトラヒドロナフタレン-1-オン7-Amino-α-tetralone7-Amino-a-tetralone7-Amino-3,4-dihydronaphthalen-2(1H)-one7-Amino-alpha-tetralone, CAS 22009-40-11(2H)-Naphthalenone, 7-amino-3,4-dihydro-

NSC301173SCHEMBL656011MLS003115755XAA009407-amino-alpha-tetralone, AldrichCPRNSC-301173AC-7191SMR001831323

データベース識別子

CAS: 22009-40-1
PubChem CID: 327177
DTXSID: DTXSID00316234
ChEMBL: CHEMBL2141304
EC Number: 696-582-4
Nikkaji: J37.371K

物性

構造計算による物性

XLogP: 1.3
極性表面積: 43.1 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: 12
形式電荷: 0
複雑度: 190

物理化学的性質

融点: 140 ℃ · 140℃
沸点: 346.5 · 346.5±31.0 °C(Predicted)
比重(密度): 1.193 · 1.193±0.06 g/cm3 (20 ºC 760 Torr)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: DMSO (Slightly), Methanol (Slightly)
外見: 結晶性粉末
酸解離定数(Pka): 3.92 · 3.92±0.20(Predicted)
色: 黄色から茶色
InChI: 1S/C10H11NO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3,11H2
InChIKey: IDNLVJHOEZJNHW-UHFFFAOYSA-N
SMILES: Nc1ccc2CCCC(=O)c2c1

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, 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.；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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)

安全データ

wgk: WGK 3
hs_code: 2921450090
risk_code: 36/38-25
hazard_code: T
safety_code: 22-26-36/37/39-45
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 3 Oral
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects