基本情報
- 標準SMILES
NC1CCCc2ccccc21- InChIKey
JRZGPXSSNPTNMA-UHFFFAOYSA-N- 分子式
- C10H13N
- 平均分子量
- 147.22 g/mol
- 単同位体質量
- 147.10479942
名称と識別子
- 優先名称
- 1,2,3,4-Tetrahydro-1-naphthylamine
- IUPAC
- 1,2,3,4-tetrahydronaphthalen-1-amine
- 現地名
- 1,2,3,4-テトラヒドロ-1-ナフチルアミン
- 英語名
- 1,2,3,4-Tetrahydro-1-naphthylamine
- 分子式
- C10H13N
- 分子量
- 147.22
名称と別名
名称をさらに表示
データベース識別子
- CAS
2217-40-5、2954-50-9- PubChem CID
- 18066
- DTXSID
DTXSID70903059- UNII
- O7A3GV2PNX
- EC Number
- 218-712-7
- Nikkaji
- J135.688G
物性
構造計算による物性
- XLogP
- 1.6
- 極性表面積
- 26 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 133
物理化学的性質
- 沸点
- 246 · 246-247 °C/714 mmHg (lit.)
- 比重(密度)
- 1.026 g/mL · 1.026 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.562(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 外見
- 液体
- 酸解離定数(Pka)
- 9.39 · 9.39±0.20(Predicted)
- 色
- 無色透明~黄色
- InChI
- 1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2
- InChIKey
- JRZGPXSSNPTNMA-UHFFFAOYSA-N
- SMILES
- NC1CCCc2ccccc12
- CAS データベース
- 2217 · 2217-40-5(CAS DataBase Reference)
化学的性質
化学的特性CLEAR COLORLESS TO YELLOW LIQUID
安全と法規制
GHS分類
GHS Classification
Danger
H302 (69.5%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (69.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (30.5%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (69.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (30.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (29.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H412 (69.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 151 reports by companies from 8 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
法規制情報
安全データ
- wgk
- 3
- hs_code
- 29214500
- risk_code
- 36/37/38
- 消防法
- 危-4-3-III
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 10 - Combustible liquids
化学と産業
応用分野
使用1,2,3,4-Tetrahydro-1-naphthylamine has been used in the preparation of new chiral phosphine-aminophosphine ligands.
一般的な説明(R)-1,2,3,4-Tetrahydro-1-naphthylamine is an efficient reagent for iodocyclization of 4-aryl-4-pentenoic acids.
上流・下流製品情報
上流原料
サプライヤー50 社
関連反応
関連ノート
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