기본 정보
- 표준 SMILES
CCC(CC)CN- InChIKey
MGWAGIQQTULHGU-UHFFFAOYSA-N- 분자식
- C6H15N
- 평균 분자량
- 101.19 g/mol
- 단동위원소 질량
- 101.12044948
이름 및 식별자
- 우선 이름
- 2-Ethyl butylamine
- IUPAC
- 2-ethylbutan-1-amine
- 영어명
- 2-Ethylbutylamine
- 분자식
- C6H15N
- 분자량
- 101.19
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
617-79-8- PubChem CID
- 12049
- DTXSID
DTXSID00210703- UNII
- 4MFV23BJBA
- EC Number
- 210-530-6
- Nikkaji
- J35.116D
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 31.2
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 20 °C · 20°C
- 끓는 점
- 125 · 125
- 밀도
- 0.776 · 0.776
- 굴절률
- 1.41 · 1.4100
- 인화점
- 14 °C · 14 °C
- 저장 조건
- Flammables area
- 용해도
- 클로로포름(소량으로 용해), DMSO(약간 용해됨)
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 10.75 · 10.75±0.10(Predicted)
- 색상
- 무색
- 수용성
- 25 °C에서 · 25°C에서 물에 용해됨 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
화학적 성질
clear colorless to light yellow liquid
안전 및 규제
GHS 분류
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.
유해성 정보
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]
안전 및 보호
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.
독성 정보
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
안전 데이터
- wgk
- WGK 3
- ridadr
- 2733
- HS 번호
- 2921199990
- risk_code
- 34-20/21/22-11-36-22
- hazard_code
- C-F,F,C,Xn
- safety_code
- 45-36/37/39-26-16
- 포장분류
- II
- 위험 등급
- 3
- 기존화학 물질
- KE-13562
- 위험 참고 사항
- Flammable/Harmful/Corrosive
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
- 유해 물질 데이터
- 617-79-8(Hazardous Substances Data)
화학 및 산업
용도 및 제조
응용 분야
용도2-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.
상·하류 제품 정보
상류 원료
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