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[ CAS No. 7335-06-0 ] {[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| 7335-06-0
Chemical Structure| 7335-06-0
Structure of 7335-06-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 7335-06-0 ]

CAS No. :7335-06-0 MDL No. :MFCD01632186
Formula : C6H13N Boiling Point : -
Linear Structure Formula :- InChI Key :ONQBOTKLCMXPOF-UHFFFAOYSA-N
M.W : 99.17 Pubchem ID :81782
Synonyms :

Calculated chemistry of [ 7335-06-0 ]

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 35.65
TPSA : 3.24 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.92 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.09
Log Po/w (XLOGP3) : 1.39
Log Po/w (WLOGP) : 0.72
Log Po/w (MLOGP) : 1.14
Log Po/w (SILICOS-IT) : 1.45
Consensus Log Po/w : 1.36

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.26
Solubility : 5.39 mg/ml ; 0.0544 mol/l
Class : Very soluble
Log S (Ali) : -1.06
Solubility : 8.61 mg/ml ; 0.0868 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.04
Solubility : 9.11 mg/ml ; 0.0918 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 7335-06-0 ]

Signal Word:Danger Class:3,8
Precautionary Statements:P210-P280-P305+P351+P338-P310 UN#:2733
Hazard Statements:H225-H314 Packing Group:
GHS Pictogram:
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