4-Hydroxyphenylglycine DL-对羟基苯甘氨酸

CAS 938-97-6 MFCD00065931

化学结构图

938-97-6
SMILES: NC(C(=O)O)c1ccc(O)cc1

化学属性

Mol. FormulaC8H9NO3
Mol. Weight167.16
Melting Point240°C
Boiling Point446.3°C at 760 mmHg

别名和识别编码

Chemical Name(4-Hydroxyphenyl)glycine
CAS Number938-97-6
Alfabeta NameAMINOHYDROXYPHENYLACETICACID 224()----
MDL NumberMFCD00065931
Synonym 2-Amino-2-(4-hydroxyphenyl)acetic acid {LY} 2-Amino-2-(4-hydroxyphenyl)acetic acid {} {LY} 2-Amino-2-(4-hydroxyphenyl)acetic acid {} {} {LY} 2-Amino-2-(4-hydroxyphenyl)acetic acid {} {} {} {LY} 2-Amino-2-(4-hydroxyphenyl)acetic acid {} {} {} {} {LY} 2-Amino-2-(4-hydroxyphenyl)acetic acid {} {} {} {} {} {LY} 2-Amino-2-(4-hydroxyphenyl)acetic acid {} {} {} {} {} {} {LY} 2-Amino-2-(4-hydroxyphenyl)acetic acid {} {} {} {} {} {} {} {LY} 2-Amino-2-(4-hydroxyphenyl)acetic acid {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} 2-Amino-2-(4-hydroxyphenyl)acetic acid {} {} {} {} {} {} {} {} {} {LY} 2-Amino-2-(4-hydroxyphenyl)acetic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-2-(4-hydroxyphenyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-2-(4-hydroxyphenyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-2-(4-hydroxyphenyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-2-(4-hydroxyphenyl
Chemical Name TranslationDL-对羟基苯甘氨酸
LabNetwork Molecule IDLN00149747
InChIKeyLJCWONGJFPCTTL-UHFFFAOYSA-N
PubChem Substance ID92143
InChIInChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)
Canonical SMILESNC(C(O)=O)C1=CC=C(O)C=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; alcohol; racemate; 1fragment
  • {KO} alpha-Amino Acids
  • {KO} ArylOHs

相关文献及参考

  • Short: II/27C Title: Diamagnetic Susceptibility and Magnetic Anisotropy of Organic Compounds Author: Kumar, Mahendra; Gupta, Rajni Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27C Year: 2008 Keyword: diamagnetic susceptibility; magnetic anisotropy; organic compounds ISBN: 978-3-540-44734-4 (print) ISBN: 978-3-540-44736-8 (online) Internet Resource: doi:10.1007/978-3-540-44736-8 RefComment: VIII, 204 p., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds (Part 1); Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds (Part 2). The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Warnings IRRITANT
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • 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+P317
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P317
  • P337+P317
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
2
H-bond Donors
3
LogP
6.162000000000000e-001

系列性分类

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