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[ CAS No. 55863-02-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 55863-02-0
Chemical Structure| 55863-02-0
Structure of 55863-02-0 * Storage: {[proInfo.prStorage]}

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Product Details of [ 55863-02-0 ]

CAS No. :55863-02-0 MDL No. :MFCD09837644
Formula : C7H15N Boiling Point : No data available
Linear Structure Formula :- InChI Key :KKIMETYRXLWWSD-UHFFFAOYSA-N
M.W : 113.20 Pubchem ID :17825054
Synonyms :

Calculated chemistry of [ 55863-02-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.71
Num. rotatable bonds : 5
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 38.09
TPSA : 12.03 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.84 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.36
Log Po/w (XLOGP3) : 1.62
Log Po/w (WLOGP) : 1.56
Log Po/w (MLOGP) : 1.74
Log Po/w (SILICOS-IT) : 1.53
Consensus Log Po/w : 1.76

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.23
Solubility : 6.63 mg/ml ; 0.0586 mol/l
Class : Very soluble
Log S (Ali) : -1.48
Solubility : 3.71 mg/ml ; 0.0327 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.33
Solubility : 0.534 mg/ml ; 0.00472 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.13

Safety of [ 55863-02-0 ]

Signal Word:Danger Class:3,8
Precautionary Statements:P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P370+P378-P403+P235-P405-P501 UN#:2733
Hazard Statements:H225-H314 Packing Group:
GHS Pictogram:
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