2-[(Dimethylamino)methyl]-4-ethylbenzenol

CAS 55955-99-2 MFCD01734031

化学结构图

55955-99-2
SMILES: CCC1=CC(CN(C)C)=C(O)C=C1

化学属性

Mol. FormulaC11H17NO
Mol. Weight179
Melting PointBP: 80 - 85 @ 0.01 mm Hg (°C)

别名和识别编码

Chemical Nameo-Cresol, alpha-(dimethylamino)-4-ethyl-
CAS Number55955-99-2
Alfabeta NameDIMETHYLAMINOMETHYLETHYLBENZENOL 24[]()---
MDL NumberMFCD01734031
Synonym o-Dimethylaminomethyl-para-ethylphenol alpha-(Dimethylamino)-4-ethyl-o-cresol Phenol, 2-((dimethylamino)methyl)-4-ethyl-
Beilstein Registry Number5735068
Chemical Name Translation
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分类

  • {KO} ArylOHs

安全信息

Warnings IRRITANT
RTECSGO8250000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 21,110,1987

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
3
H-bond Donors
1
LogP
2

系列性分类

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