1,2,3,4-Tetrahydro-benzo[b]azepin-5-One 1,2,3,4-四氢苯并[b]氮杂卓-5-酮

CAS 1127-74-8 MFCD03426404

化学结构图

1127-74-8
SMILES: O=C1CCCNc2ccccc21

化学属性

Mol. FormulaC10H11NO
Mol. Weight161.20
Melting Point70 °C
Boiling Point314.6°C at 760 mmHg

别名和识别编码

Chemical Name1,2,3,4-Tetrahydro-benzo[b]azepin-5-One
CAS Number1127-74-8
Alfabeta NameTETRAHYDROBENZAZEPINONE H1234515------,,,
MDL NumberMFCD03426404
Synonym 1,2,3,4-Tetrahydrobenzo[b]azepin-5-one {LY} 1,2,3,4-Tetrahydrobenzo[b]azepin-5-one {} {LY} 1,2,3,4-Tetrahydrobenzo[b]azepin-5-one {} {} {LY} 1,2,3,4-Tetrahydrobenzo[b]azepin-5-one {} {} {} {LY} 1,2,3,4-Tetrahydrobenzo[b]azepin-5-one {} {} {} {} {LY} 1,2,3,4-Tetrahydrobenzo[b]azepin-5-one {} {} {} {} {} {LY} 1,2,3,4-Tetrahydrobenzo[b]azepin-5-one {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydrobenzo[b]azepin-5-one {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydrobenzo[b]azepin-5-one {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydrobenzo[b]azepin-5-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydrobenzo[b]azepin-5-one {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydrobenzo[b]azepin-5-one {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydrobenzo[b]azepin-5-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydrobenzo[b]azepin-5-one {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydrobe
Chemical Name Translation1,2,3,4-四氢苯并[b]氮杂卓-5-酮
LabNetwork Molecule IDLN00156185
PubChem Substance ID294788
InChIInChI=1S/C10H11NO/c12-10-6-3-7-11-9-5-2-1-4-8(9)10/h1-2,4-5,11H,3,6-7H2
Canonical SMILESO=C1CCCNC2=CC=CC=C21
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分类

  • {SNA} Amines, Building Blocks, C10, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

安全信息

Warnings IRRITANT
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
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+P312
  • P301+P317
  • P302+P352
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • 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）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
1
Rotatable Bonds
0
LogP
9.283999999999999e-001

其他信息

  • MOL 文件:1127-74-8.mol
  • Sigma Aldrich:1127-74-8(sigmaaldrich)

系列性分类

  1. C10 - Amines

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