Isonicotinamidoxime 4-吡啶基偕胺肟

CAS 1594-57-6 MFCD00125873

化学结构图

1594-57-6
SMILES: N=C(NO)c1ccncc1

化学属性

Mol. FormulaC6H7N3O
Mol. Weight137.14
Melting Point128-133°C
Density1.422
TSCANo
Boiling Point350°C at 760 mmHg

别名和识别编码

Chemical NameIsonicotinamidoxime
CAS Number1594-57-6
Alfabeta NameHYDROXYPYRIDINECARBOXIMIDAMIDE N4---'
MDL NumberMFCD00125873
EC Number250-023-7
Beilstein Registry Number2384789
Synonym N-Hydroxyisonicotinimidamide {LY} N-Hydroxyisonicotinimidamide {} {LY} N-Hydroxyisonicotinimidamide {} {} {LY} N-Hydroxyisonicotinimidamide {} {} {} {LY} N-Hydroxyisonicotinimidamide {} {} {} {} {LY} N-Hydroxyisonicotinimidamide {} {} {} {} {} {LY} N-Hydroxyisonicotinimidamide {} {} {} {} {} {} {LY} N-Hydroxyisonicotinimidamide {} {} {} {} {} {} {} {LY} N-Hydroxyisonicotinimidamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Hydroxyisonicotinimidamide {} {} {} {} {} {} {} {} {} {LY} N-Hydroxyisonicotinimidamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Hydroxyisonicotinimidamide {} {} {} {} {} {} {} {} {} {} {} {LY} N-Hydroxyisonicotinimidamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Hydroxyisonicotinimidamide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Hydroxyisonicotinimidamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Hydroxyisonicot
PubChem Substance ID135476661
Chemical Name Translation4-吡啶基偕胺肟
InChIKeyZUUATXHRJFHSGO-UHFFFAOYSA-N
LabNetwork Molecule IDLN00139904
Reaxys-RN3730
InChIInChI=1S/C6H7N3O/c7-6(9-10)5-1-3-8-4-2-5/h1-4,10H,(H2,7,9)
Canonical SMILESN=C(NO)C1=CC=NC=C1
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分类

  • {KO} Amidoximes
  • {SNA} Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
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;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S37 Wear suitable gloves 戴适当手套;
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
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
  • 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。
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • 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.....
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
RTECSNS1050000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 321 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
REFERENCE :
   AITEAT Archivum Immunologiae et Therapiae Experimentalis. (Ars Polona, POB
   1001, 00-068 Warsaw 1, Poland)  V.10-    1962-  Volume(issue)/page/year:
   25,839,1977

Storage condition 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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

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
8.622000000000001e-001

其他信息

  • Sigma Aldrich:1594-57-6(sigmaaldrich)
  • MOL 文件:1594-57-6.mol
  • 存储注意事项:湿度敏感
  • 检测方法:HPLC
  • Hazard Note:Irritant
  • 上游原料:碳酸钠 --> 盐酸羟胺 --> 4-氰基吡啶

系列性分类


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