3-Benzotriazol-1-yl-propionic Ac… 3-苯并三唑-1-基-丙酸
CAS 654-15-9 MFCD00964153
化学结构图
SMILES: O=C(O)CCn1nnc2ccccc21
化学属性
| Mol. Formula | C9H9N3O2 |
|---|---|
| Mol. Weight | 191.19 |
| Boiling Point | 433.4±28.0 °C at 760 mmHg |
别名和识别编码
| Chemical Name | 3-Benzotriazol-1-yl-propionic Ac… |
|---|---|
| CAS Number | 654-15-9 |
| Alfabeta Name | BENZOTRIAZOLYLPROPIONICACID 31---- |
| MDL Number | MFCD00964153 |
| Synonym | 3-Benzotriazol-1-yl-propionic acid {LY} 3-Benzotriazol-1-yl-propionic acid {} {LY} 3-Benzotriazol-1-yl-propionic acid {} {} {LY} 3-Benzotriazol-1-yl-propionic acid {} {} {} {LY} 3-Benzotriazol-1-yl-propionic acid {} {} {} {} {LY} 3-Benzotriazol-1-yl-propionic acid {} {} {} {} {} {LY} 3-Benzotriazol-1-yl-propionic acid {} {} {} {} {} {} {LY} 3-Benzotriazol-1-yl-propionic acid {} {} {} {} {} {} {} {LY} 3-Benzotriazol-1-yl-propionic acid {} {} {} {} {} {} {} {} {LY} 3-Benzotriazol-1-yl-propionic acid {} {} {} {} {} {} {} {} {} {LY} 3-Benzotriazol-1-yl-propionic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Benzotriazol-1-yl-propionic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Benzotriazol-1-yl-propionic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Benzotriazol-1-yl-propionic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Benzotriazol-1-yl-propionic acid {} {} {} {} {} {} {} {} {} {} {} |
| Chemical Name Translation | 3-苯并三唑-1-基-丙酸 |
| LabNetwork Molecule ID | LN00117821 |
| Canonical SMILES | C1=CC=C2C(=C1)N=NN2CCC(=O)O |
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分类
- {KO} CarboxylicAcids
- {SNA} Amines, Aromatic Azides, Azides, Building Blocks, C9, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks
相关文献及参考
安全信息
GHS Symbol
- 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。
- P305+P351+P338
- R22 Harmful if swallowed 吞咽有害
- R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
药物吸收、分布、代谢与排泄(ADME)
Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
3
H-bond Donors
1
LogP
1
其他信息
- Sigma Aldrich:654-15-9(sigmaaldrich)
- MOL 文件:654-15-9.mol
