1-(Aminocarbonyl)-1-cyclopropanecarboxylic acid, 98% 1-氨基甲酰-1-环丙烷羧酸

CAS 6914-74-5 MFCD00190650

化学结构图

6914-74-5
SMILES: NC(=O)C1(C(=O)O)CC1

化学属性

Mol. FormulaC5H7NO3
Mol. Weight129.11
Melting Point185 °C
Boiling Point239.15 °C at 760 mmHg

别名和识别编码

Chemical Name1-(Aminocarbonyl)-1-cyclopropanecarboxylic acid, 98%
CAS Number6914-74-5
Alfabeta NameCARBAMOYLCYCLOPROPANECARBOXYLICACID 11---
MDL NumberMFCD00190650
PubChem Substance ID2733272
Synonym 1-Carbamoylcyclopropanecarboxylic acid {LY} 1-Carbamoylcyclopropanecarboxylic acid {} {LY} 1-Carbamoylcyclopropanecarboxylic acid {} {} {LY} 1-Carbamoylcyclopropanecarboxylic acid {} {} {} {LY} 1-Carbamoylcyclopropanecarboxylic acid {} {} {} {} {LY} 1-Carbamoylcyclopropanecarboxylic acid {} {} {} {} {} {LY} 1-Carbamoylcyclopropanecarboxylic acid {} {} {} {} {} {} {LY} 1-Carbamoylcyclopropanecarboxylic acid {} {} {} {} {} {} {} {LY} 1-Carbamoylcyclopropanecarboxylic acid {} {} {} {} {} {} {} {} {LY} 1-Carbamoylcyclopropanecarboxylic acid {} {} {} {} {} {} {} {} {} {LY} 1-Carbamoylcyclopropanecarboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 1-Carbamoylcyclopropanecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Carbamoylcyclopropanecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Carbamoylcyclopropanecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Carbamoylcyclopropanecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-C
Chemical Name Translation1-氨基甲酰-1-环丙烷羧酸
LabNetwork Molecule IDLN00176733
InChIInChI=1S/C5H7NO3/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H2,6,7)(H,8,9)
Canonical SMILESOC(C1(C(N)=O)CC1)=O
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分类

  • {SNA} Building Blocks, C1 to C5, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {KO} CarboxylicAcids

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P362+P364
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P405 Store locked up. 上锁保管。
  • 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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P403+P233
  • P337+P317
  • 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。
  • P302+P352
  • P304+P340
  • P319
  • P305+P351+P338
  • P332+P317
  • P264+P265
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
Signal word Warning
Hazard statements
  • 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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
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 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Warnings IRRITANT
Storage condition

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
-4.498000000000000e-001

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Organic Acids - Synthetic Reagents
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C1 to C5 - Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids

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