p-Cresol, alpha-(dimethylamino)-2,6-diisopropyl- 4-((二甲氨基)甲基)-2,6-二异丙基苯酚

CAS 4918-95-0 MFCD00514869

化学结构图

4918-95-0
SMILES: CC(C)c1cc(CN(C)C)cc(C(C)C)c1O

化学属性

Mol. FormulaC15H25NO
Mol. Weight235.37
Melting Point84-86 °C

别名和识别编码

Chemical Namep-Cresol, alpha-(dimethylamino)-2,6-diisopropyl-
CAS Number4918-95-0
Alfabeta NameDIMETHYLAMINOMETHYLDIISOPROPYLBENZENOL 426[]()---,
MDL NumberMFCD00514869
Chemical Name Translation4-((二甲氨基)甲基)-2,6-二异丙基苯酚
Wiswesser Line Notation1Y1&R BQ CY1&1 E1N1&1
Synonym 4-((Dimethylamino)methyl)-2,6-diisopropylphenol {LY} 4-((Dimethylamino)methyl)-2,6-diisopropylphenol {} {LY} 4-((Dimethylamino)methyl)-2,6-diisopropylphenol {} {} {LY} 4-((Dimethylamino)methyl)-2,6-diisopropylphenol {} {} {} {LY} 4-((Dimethylamino)methyl)-2,6-diisopropylphenol {} {} {} {} {} {} {} {} {LY} 4-((Dimethylamino)methyl)-2,6-diisopropylphenol {} {} {} {} {} {LY} 4-((Dimethylamino)methyl)-2,6-diisopropylphenol {} {} {} {} {} {} {LY} 4-((Dimethylamino)methyl)-2,6-diisopropylphenol {} {} {} {} {} {} {} {LY} 4-((Dimethylamino)methyl)-2,6-diisopropylphenol {} {} {} {} {} {} {} {} {LY} 4-((Dimethylamino)methyl)-2,6-diisopropylphenol {} {} {} {} {} {} {} {} {} {LY} 4-((Dimethylamino)methyl)-2,6-diisopropylphenol {} {} {} {} {} {} {} {} {} {} {LY} 4-((Dimethylamino)methyl)-2,6-diisopropylphenol {} {} {} {} {} {} {} {} {} {} {} {LY} 4-((Dimethylamino)methyl)-2,6-diisopropylphenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-((Dimethylamino)methyl)-2,6-diisopropylphe
Beilstein Registry Number2939746
InChIKeyDEYFSRVIHDNQHT-UHFFFAOYSA-N
LabNetwork Molecule IDLN00149868
PubChem Substance ID21025
InChIInChI=1S/C15H25NO/c1-10(2)13-7-12(9-16(5)6)8-14(11(3)4)15(13)17/h7-8,10-11,17H,9H2,1-6H3
Canonical SMILESCC(C)C1=C(C(=CC(=C1)CN(C)C)C(C)C)O
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分类

  • {KO} ArylOHs

安全信息

Warnings IRRITANT
RTECSGO8200000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JCSOA9 Journal of the Chemical Society.  (London, UK)  1926-65.  For
   publisher information, see JCPRB4.  Volume(issue)/page/year: -,191,1947

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - changes in motor activity (specific assay)
REFERENCE :
   JMPCAS Journal of Medicinal and Pharmaceutical Chemistry.  (Washington, DC)
   V.1-5, 1959-62.  For publisher information, see JMCMAR.
   Volume(issue)/page/year: 2,229,1960

Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
4
H-bond Donors
1
LogP
4

系列性分类

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