化合物信息

ID:128847

C₁₃H₁₉N₃O₄

InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3

CHIFOSRWCNZCFN-UHFFFAOYSA-N

CCC(Nc1c(cc(c(c1[N+](=O)[O-])C)C)[N+](=O)[O-])CC

CCC(CC)Nc1c(cc(c(c1[N+](=O)[O-])C)C)[N+](=O)[O-]

LogD (pH = 7.4)

4.82

LogD (pH = 5.5)

4.82

Log P

4.82

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

10.52

极化表面积

98.31

极化性

28.38

摩尔折射率

77.19

LOG S

-4.93

Pendimethalin二甲戊乐灵溶液PendimethalinPendimethalin solution二甲戊乐灵PhenoxalinN-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitro-benzenamineMost MicroAccotabN-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidineStompPendimaxProwlHerbadoxAcumen3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)anilinependimethalinPenoxalinPhenoxalinN-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)anilineN-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamineN-(3-Pentyl)-3,4-dimethyl-2,6-dinitroanilinependimethalinePenoxalinePenoxynN-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidine

3,4-dimethyl-2,6-dinitro-N-(pentan-3-yl)aniline

美国药典/FDA物质标识码

MetaboLights数据库

BRENDA Ligand数据库

PESTANAL®, analytical standard

C13H19N3O4

100 ng/μL in methanol

下载链接

36191

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

45892

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

P221900

Herbicide used to control the spread of weedgrass.

CHEBI:83569

A member of the class of substituted anilines that is N-(pentan-3-yl)aniline bearing two additional nitro substituents at positions 2 and 6 as well as two methyl substituents at positions 3 and 4. A herbicide used to control most annual grasses and many annual broad-leaved weeds.

• Haith, D., et al.: Environ. Sci. Technol., 44, 6496 (2010)

• Jabran, K., et al.: Int. J. Agric. Biol., 12, 335 (2010)

• Rahaman, S., et al.: Environ. Ecol., 28, 1 (2010)