2,2-(Benzylimino)Diethanol 2,2-(苄基亚胺)二乙醇

CAS 101-32-6 MFCD00020587

化学结构图

101-32-6
SMILES: OCCN(CCO)Cc1ccccc1

化学属性

Mol. FormulaC11H17NO2
Mol. Weight195.26
Melting Point196.5 °C
Boiling Point226 °C at 760 mmHg
Refractive index1.5370 to 1.5410

别名和识别编码

Chemical Name2,2-(Benzylimino)Diethanol
CAS Number101-32-6
Alfabeta NameBENZYLHYDROXYETHYLAMINOETHANOL 221[]()----
MDL NumberMFCD00020587
EC Number202-934-6
Synonym 2,2'-(Benzylazanediyl)diethanol {LY} 2,2'-(Benzylazanediyl)diethanol {} {LY} 2,2'-(Benzylazanediyl)diethanol {} {} {LY} 2,2'-(Benzylazanediyl)diethanol {} {} {} {LY} 2,2'-(Benzylazanediyl)diethanol {} {} {} {} {LY} 2,2'-(Benzylazanediyl)diethanol {} {} {} {} {} {LY} 2,2'-(Benzylazanediyl)diethanol {} {} {} {} {} {} {LY} 2,2'-(Benzylazanediyl)diethanol {} {} {} {} {} {} {} {LY} 2,2'-(Benzylazanediyl)diethanol {} {} {} {} {} {} {} {} {LY} 2,2'-(Benzylazanediyl)diethanol {} {} {} {} {} {} {} {} {} {LY} 2,2'-(Benzylazanediyl)diethanol {} {} {} {} {} {} {} {} {} {} {LY} 2,2'-(Benzylazanediyl)diethanol {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2'-(Benzylazanediyl)diethanol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2'-(Benzylazanediyl)diethanol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2'-(Benzylazanediyl)diethanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2'-(Benzylazanediyl)diethanol {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation2,2-(苄基亚胺)二乙醇
Beilstein Registry Number2211596
InChIKeyMIZIOHLLYXVEHJ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00145542
Reaxys-RN2211596
PubChem Substance ID354333791
InChIInChI=1S/C11H17NO2/c13-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
Canonical SMILESOCCN(CCO)CC1=CC=CC=C1
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分类

  • {KO} Alcohols

安全信息

Warnings IRRITANT
Hazard Codes Xi
RTECSKJ7538000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 97,25,1949

Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
GHS Symbol
Signal word
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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+P332+P313+P362+P364
  • P305+P351+P338+P337+P313
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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
6
H-bond Donors
2
LogP
1

其他信息

  • MOL 文件:101-32-6.mol
  • Sigma Aldrich:101-32-6(sigmaaldrich)
  • Hazard Note:Irritant

系列性分类

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