2-Amino-1-furan-2-yl-ethanol 2-氨基-1-(呋喃-2-基)乙-1-醇

CAS 2745-22-4 MFCD04038401

化学结构图

2745-22-4
SMILES: NCC(O)c1ccco1

化学属性

Mol. FormulaC6H9NO2
Mol. Weight127.14
Melting Point85-87 °C
Boiling Point108 °C at 1 mmHg

别名和识别编码

Chemical Name2-Amino-1-furan-2-yl-ethanol
CAS Number2745-22-4
Alfabeta NameAMINOFURYLETHANOL 2121()------
MDL NumberMFCD04038401
Synonym 2-Amino-1-(furan-2-yl)ethan-1-ol {LY} 2-Amino-1-(furan-2-yl)ethan-1-ol {} {LY} 2-Amino-1-(furan-2-yl)ethan-1-ol {} {} {LY} 2-Amino-1-(furan-2-yl)ethan-1-ol {} {} {} {LY} 2-Amino-1-(furan-2-yl)ethan-1-ol {} {} {} {} {LY} 2-Amino-1-(furan-2-yl)ethan-1-ol {} {} {} {} {} {LY} 2-Amino-1-(furan-2-yl)ethan-1-ol {} {} {} {} {} {} {LY} 2-Amino-1-(furan-2-yl)ethan-1-ol {} {} {} {} {} {} {} {LY} 2-Amino-1-(furan-2-yl)ethan-1-ol {} {} {} {} {} {} {} {} {LY} 2-Amino-1-(furan-2-yl)ethan-1-ol {} {} {} {} {} {} {} {} {} {LY} 2-Amino-1-(furan-2-yl)ethan-1-ol {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-1-(furan-2-yl)ethan-1-ol {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-1-(furan-2-yl)ethan-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-1-(furan-2-yl)ethan-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-1-(furan-2-yl)ethan-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-1-(furan-2-yl)ethan-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-1
Chemical Name Translation2-氨基-1-(呋喃-2-基)乙-1-醇
InChIKeyJWQAFPHYLSGNSK-UHFFFAOYSA-N
PubChem Substance ID2756441
LabNetwork Molecule IDLN00001144
InChIInChI=1S/C6H9NO2/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H,4,7H2
Canonical SMILESC1=COC(=C1)C(CN)O
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分类

  • {SA} Building Blocks, C4 to C7, Chemical Synthesis, Furans, Heterocyclic Building Blocks, New Products for Chemical Synthesis
  • {uni_hamburg} no charge; oxygen heterocycle; aromatic; 5ring; alcohol; ether; racemate; 1fragment
  • {KO} Alcohols
  • {SNA} Building Blocks, C4 to C7, Chemical Synthesis, Furans, Heterocyclic Building Blocks
  • {KO} AminesPrimary

相关文献及参考

  • Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. NMR is now a leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei B-11 and P-31, subvolume III/35B contains the nuclei F-19 and N-15, subvolume III/35C contains the nucleus H-1, subvolume III/35D contains the nucleus C-13, subvolume III/35E contains the nucleus O-17, and subvolume III/35G contains the nucleus Se-77. More nuclei are planned for future volumes.

安全信息

Warnings IRRITANT
Hazard Codes Xi Xn
GHS Symbol
WGK Germany3
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P310
  • P301+P312
  • P301+P317
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
  • R22 Harmful if swallowed 吞咽有害
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, pro

药物吸收、分布、代谢与排泄(ADME)

H-bond Donors
2
Lipinski's Rule of 3
Y
H-bond Acceptors
3
Lipinski's Rule of 5
Y
LogP
-2.603000000000000e-001
Rotatable Bonds
2

其他信息

  • Hazard Note:Irritant
  • MOL 文件:2745-22-4.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Furans 呋喃
  5. C4 to C7 - Furans

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