2-Methylbenzo[d]oxazol-6-amine 2-甲基-6-氨基苯并恶唑

CAS 5676-60-8 MFCD03791181

化学结构图

5676-60-8
SMILES: Cc1nc2ccc(N)cc2o1

化学属性

Mol. FormulaC8H8N2O
Mol. Weight148.16
Melting Point144-146°C
Density
Boiling Point290.6°C at 760 mmHg

别名和识别编码

Chemical Name2-Methylbenzo[d]oxazol-6-amine
CAS Number5676-60-8
Alfabeta NameMETHYLBENZOXAZOLAMINE 2136-----,
MDL NumberMFCD03791181
Synonym 2-Methylbenzo[d]oxazol-6-amine {LY} 2-Methylbenzo[d]oxazol-6-amine {} {LY} 2-Methylbenzo[d]oxazol-6-amine {} {} {LY} 2-Methylbenzo[d]oxazol-6-amine {} {} {} {LY} 2-Methylbenzo[d]oxazol-6-amine {} {} {} {} {LY} 2-Methylbenzo[d]oxazol-6-amine {} {} {} {} {} {LY} 2-Methylbenzo[d]oxazol-6-amine {} {} {} {} {} {} {LY} 2-Methylbenzo[d]oxazol-6-amine {} {} {} {} {} {} {} {LY} 2-Methylbenzo[d]oxazol-6-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylbenzo[d]oxazol-6-amine {} {} {} {} {} {} {} {} {} {LY} 2-Methylbenzo[d]oxazol-6-amine {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylbenzo[d]oxazol-6-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylbenzo[d]oxazol-6-amine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylbenzo[d]oxazol-6-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylbenzo[d]oxazol-6-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylbenzo[d]oxazo
Chemical Name Translation2-甲基-6-氨基苯并恶唑
EC Number
Beilstein Registry Number
PubChem Substance ID590539
InChIInChI=1S/C8H8N2O/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,9H2,1H3
LabNetwork Molecule IDLN00147804
Canonical SMILESCC1=NC2=C(O1)C=C(N)C=C2
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分类

  • {KO} AminesPrimary
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Oxazoles

相关文献及参考

安全信息

Warnings IRRITANT
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；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
GHS Symbol
WGK Germany3
Precautionary statements
  • P305 IF IN EYES: 如果进入眼睛
Signal word Warning
UN Number
Hazard Codes
RTECS
Packing Group
Storage condition -20°C, protect from light {LY} -20°C, protect from light {} {LY} -20°C, protect from light {} {} {LY} -20°C, protect from light {} {} {} {LY} -20°C, protect from light {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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 Acceptors
2
Rotatable Bonds
0
H-bond Donors
1
LogP
7.744000000000000e-001

其他信息

  • MOL 文件:5676-60-8.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. Oxazoles 恶唑

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