grade
purum
refractive index
n20/D 1.358
bp
32-37 °C
density
0.625 g/mL at 20 °C
SMILES string
CCCCC
InChI
1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
InChI key
OFBQJSOFQDEBGM-UHFFFAOYSA-N
signalword
Danger
hcodes
Hazard Classifications
Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 1 - STOT SE 3
target_organs
Central nervous system
supp_hazards
存储类别
3 - Flammable liquids
wgk
WGK 2
flash_point_f
-40.0 °F - closed cup
flash_point_c
-40 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves
法规信息
新产品
此项目有
Michael H Abraham et al.
European journal of medicinal chemistry, 44(2), 885-890 (2008-07-08)
The convulsant activity of 48 compounds studied by Eger et al. has been analyzed using an Abraham solvation equation. Four compounds identified by Eger et al. as more potent than expected were similarly identified, and for the remaining 44 compounds
Michael H Abraham et al.
European journal of medicinal chemistry, 43(3), 478-485 (2007-06-05)
Values of in vitro gas to lung partition coefficients, K(lung), of VOCs have been collected from the literature. For 44 VOCs, application of the Abraham solvation equation to log K(lung) yielded a correlation with R(2)=0.968 and S.D.=0.25 log units. Combination
A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the
Giulia Caron et al.
Journal of medicinal chemistry, 48(9), 3269-3279 (2005-04-29)
Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm of the partition coefficient of the neutral species in
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