基本情報
- 標準SMILES
CCC(CC)CN- InChIKey
MGWAGIQQTULHGU-UHFFFAOYSA-N- 分子式
- C6H15N
- 平均分子量
- 101.19 g/mol
- 単同位体質量
- 101.12044948
名称と識別子
- 優先名称
- 2-Ethyl butylamine
- IUPAC
- 2-ethylbutan-1-amine
- 現地名
- 2-エチルブチルアミン
- 英語名
- 2-Ethylbutylamine
- 分子式
- C6H15N
- 分子量
- 101.19
名称と別名
名称をさらに表示
データベース識別子
- CAS
617-79-8- PubChem CID
- 12049
- DTXSID
DTXSID00210703- UNII
- 4MFV23BJBA
- EC Number
- 210-530-6
- Nikkaji
- J35.116D
物性
構造計算による物性
- XLogP
- 1.3
- 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
- 3
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 31.2
実験および物理化学的性質
物理化学的性質
- 融点
- 20 °C · 20°C
- 沸点
- 125 · 125
- 比重(密度)
- 0.776 · 0.776
- 屈折率
- 1.41 · 1.4100
- 闪点
- 14 °C · 14 °C
- 貯蔵温度
- Flammables area
- 溶解性
- Chloroform (Sparingly), DMSO (Slightly)
- 外見
- liquid
- 酸解離定数(Pka)
- 10.75 · 10.75±0.10(Predicted)
- 色
- Colourless
- 水溶解度
- 25 °C · 25°C で水に可溶 3.83E+04 mg/L。
- Henry's Law Constant
- 1.8 · 1.8×10-1 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- InChI=1S/C6H15N/c1-3-6(4-2)5-7/h6H,3-5,7H2,1-2H3
- InChIKey
- MGWAGIQQTULHGU-UHFFFAOYSA-N
- SMILES
- C(N)C(CC)CC
- CAS データベース
- 617 · 617-79-8(CAS DataBase Reference)
化学的性質
化学的特性clear colorless to light yellow liquid
安全と法規制
GHS分類
GHS Classification
Danger
H225 (66.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazards Summary
Flammable liquid; [Hawley] A skin and severe eye irritant; [SAX] External application to rabbit eyes scored 9 on a scale of 1-10 (10 being most severe) for degree of injury after 24 hours; Emergency treatment: Irritants; [HSDB] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; May be absorbed through skin; Inhalation may result in chemical pneumonitis; [MSDSonline]
安全と保護具
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Preventive Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Keep away from heat and open flame.
毒性情報
Non-Human Toxicity Excerpts
2-ETHYLBUTYLAMINE RATED 9 ON RABBIT EYES /ON SCALE OF 1-10 WITH ATTENTION TO DEGREE OF CORNEAL INJURY 24 HR AFTER EXTERNAL APPLICATION./
INHALATION TOXICITY: RATS EXPOSED TO 2200 PPM FOR 4 HR RESULTED IN MORTALITY RATE OF 0/6. /FROM TABLE/
SKIN IRRITATION TO RABBITS GRADED 6. 6= MORE NECROSIS FROM UNDILUTED, LESS THAN EDEMA FROM 10%. /FROM TABLE/
Antidote and Emergency Treatment
Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush the eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patent can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . Cover skin burns with dry sterile dressings after decontamination ... . /Organic Bases/Amines and Related compounds/
Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious or in respiratory arrest. Positive-pressure ventilation techniques with a bag-valve-mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV of D5W TKO /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Monitor for signs of hypoglycemia (decreased LOC, tachycardia, pallor, dilated pupils, diaphoresis, and/or dextrose stick or glucometer readings below 50 mg/dL) and administer 50% dextrose if necessary. Draw blood sample before administration ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Organic Bases/Amines and Related compounds/
Non-Human Toxicity Values
LD50 Rat oral 310 mg/kg
LC50 Rat ihl 500 ppm/ 4 hr
LD50 Rabbit skin 2000 mg/kg
LD50 Rat oral 0.39 g/kg
LD50 Rabbit skin 2.00 ml/kg
安全データ
- wgk
- WGK 3
- ridadr
- 2733
- hs_code
- 2921199990
- risk_code
- 34-20/21/22-11-36-22
- hazard_code
- C-F,F,C,Xn
- hazard_note
- Flammable/Harmful/Corrosive
- safety_code
- 45-36/37/39-26-16
- hazard_class
- 3
- packing_group
- II
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- ストレージクラス
- 11 - Combustible Solids
- 有毒物質データの
- 617-79-8(Hazardous Substances Data)
化学と産業
用途と製造
応用分野
使用2-Ethylbutylamine is used in preparation of Amide-substituted Heterocyclic compounds for the treatment of conditions related to the modulation of IL-12, IL-23 and/or IFN-alpha.
上流・下流製品情報
上流原料
サプライヤー43 社
関連反応
関連ノート
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