1H-Indole-3-Carbohydrazide 吲哚-3-甲酰肼

CAS 15317-58-5 MFCD00464063

化学结构图

15317-58-5
SMILES: NNC(=O)C1=CNC2C=CC=CC1=2

化学属性

Mol. FormulaC9H9N3O
Mol. Weight175
Melting Point232 - 234 (°C)

别名和识别编码

Chemical Name1H-Indole-3-Carbohydrazide
CAS Number15317-58-5
Alfabeta NameINDOLECARBOHYDRAZIDE H13---
MDL NumberMFCD00464063
Synonym 1H-Indole-3-carboxylic acid hydrazide
Wiswesser Line NotationT56 BMJ DVMZ
Beilstein Registry Number0154574
Chemical Name Translation吲哚-3-甲酰肼
PubChem Substance ID329783217
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分类

  • {KO} AminesSecondaryHeteroNH
  • {SNA} Building Blocks, C7 to C9, Chemical Synthesis, Heterocyclic Building Blocks, Indoles
  • {KO} Hydrazides

安全信息

Warnings IRRITANT
RTECSNL6003000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 553 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMPCAS Journal of Medicinal and Pharmaceutical Chemistry.  (Washington, DC)
   V.1-5, 1959-62.  For publisher information, see JMCMAR.
   Volume(issue)/page/year: 4,259,1961

GHS Symbol
WGK Germany3
Precautionary statements
  • P305+P351+P338
Signal word Warning
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；
Risk Statements
  • R36 Irritating to eyes 刺激眼睛

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 Donors
3
H-bond Acceptors
2
Rotatable Bonds
1
LogP
6.406000000000001e-001

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. Indoles 吲哚
  5. C7 to C9 - Indoles

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