6-Amino-2H-1,4-Benzoxazin-3(4H)-One 6-氨基-2H-1,4-苯并恶嗪-3(4H)-酮

CAS 89976-75-0 MFCD03425742

化学结构图

89976-75-0
SMILES: NC1=CC2NC(=O)COC=2C=C1

化学属性

Mol. FormulaC8H8N2O2
Mol. Weight164
Melting Point88-93 °C
Density1.422

别名和识别编码

Chemical Name6-Amino-2H-1,4-Benzoxazin-3(4H)-One
CAS Number89976-75-0
Alfabeta NameAMINOBENZOXAZINONE HH621434()------,
MDL NumberMFCD03425742
EC Number250-023-7
Beilstein Registry Number2384789
Chemical Name Translation6-氨基-2H-1,4-苯并恶嗪-3(4H)-酮
Synonym 6-Amino-2H-benzo[b][1,4]oxazin-3(4H)-one 6-Amino-3,4-dihydro-3-oxo-2H-1,4-benzoxazine 6-Amino-3-oxo-3,4-dihydrobenzo[1,4]oxazine 6-Amino-4H-benzo[1,4]oxazin-3-one
PubChem Substance ID329765737
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分类

  • {KO} AminesSecondaryHeteroNH
  • {SNA} Benzoxazines, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks
  • {KO} AminesPrimary
  • {SNA} Amines, Building Blocks, C8, Chemical Synthesis, Ethers, Nitrogen Compounds, Organic Building Blocks, Oxygen Compounds
  • Amines, Building Blocks, C2 to C8, C8, Chemical Synthesis, Ethers, New Products for Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks, Oxygen Compounds

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R52 Harmful to aquatic organisms 对水生生物有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Hazard Codes Xn

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
2
H-bond Acceptors
2
Rotatable Bonds
0
LogP
-4.307000000000000e-001

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. Benzoxazines 苯恶嗪
  1. C8 - Amines

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