Methyl 4-amino-3-hydroxybenzoate 4-氨基-3-羟基苯甲酸甲酯

CAS 63435-16-5 MFCD00017093

化学结构图

63435-16-5
SMILES: COC(=O)C1C=CC(N)=C(O)C=1

化学属性

Mol. FormulaC8
Mol. Weight167
Melting Point118-120°
TSCANo

别名和识别编码

Chemical NameMethyl 4-amino-3-hydroxybenzoate
CAS Number63435-16-5
Alfabeta NameMETHYLAMINOHYDROXYBENZENECARBOXYLATE 43---
MDL NumberMFCD00017093
Synonym 4-Amino-3-hydroxy-benzoic acid methyl ester 4-Amino-3-hydroxybenzoic acid methyl ester Methyl 4-amino-3-hydroxybenzoate methyl 4-amino-3-hydroxybenzoate {} {uni_hamburg}
Beilstein Registry Number608716
Chemical Name Translation4-氨基-3-羟基苯甲酸甲酯
InChIKeyVNQABZCSYCTZMS-UHFFFAOYSA-N
LabNetwork Molecule IDLN00150642
PubChem Substance ID329788837
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分类

  • {KO} Anilines
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; alcohol; 1fragment
  • {KO} ArylOHs
  • {KO} Esters
  • {SNA} Amines, Building Blocks, C6 to C8, C8, Chemical Synthesis, Ethers, Nitrogen Compounds, Organic Building Blocks, Oxygen Compounds, Phenols

相关文献及参考

  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.

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；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
GHS Symbol
WGK Germany3
Signal word Warning
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 Acceptors
3
Rotatable Bonds
2
H-bond Donors
2
LogP
7.091000000000000e-001

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Phenols 酚类
  6. C6 to C8 - Phenols

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