4-Piperazinobenzonitrile 4-哌嗪基苯甲腈

CAS 68104-63-2 MFCD01320890

化学结构图

68104-63-2
SMILES: N#CC1C=CC(=CC=1)N1CCNCC1

化学属性

Mol. FormulaC11H13N3
Mol. Weight187
Melting Point83-86
Density1.422

别名和识别编码

Chemical Name4-Piperazinobenzonitrile
CAS Number68104-63-2
Alfabeta NamePIPERAZINOBENZENECARBONITRILE 4-
MDL NumberMFCD01320890
EC Number250-023-7
Beilstein Registry Number783828
Synonym 1-(4-氰基苯基)哌嗪 4-Piperazinobenzonitrile 4-哌嗪基苯甲腈
PubChem Substance ID354334857
Chemical Name Translation4-哌嗪基苯甲腈
Reaxys-RN783828
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分类

  • {KO} AminesSecondaryHeteroNH
  • {KO} Nitriles
  • {SNA} Building Blocks, C11, Chemical Synthesis, Heterocyclic Building Blocks, Piperazines

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany2
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；
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
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。
  • 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+P312+P330
  • P302+P352+P312+P362+P364
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H302+H312+H332
  • 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, Faceshields, Gloves
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 Donors
1
H-bond Acceptors
2
Rotatable Bonds
1
LogP
1

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. Piperazines 哌嗪
  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. Piperazines 哌嗪
  5. C11 - Piperazines

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