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[ CAS No. 61278-21-5 ] {[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| 61278-21-5
Chemical Structure| 61278-21-5
Structure of 61278-21-5 * Storage: {[proInfo.prStorage]}

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Product Details of [ 61278-21-5 ]

CAS No. :61278-21-5 MDL No. :MFCD00798260
Formula : C3H9NO2 Boiling Point : -
Linear Structure Formula :H2NCH2CH(OH)CH2OH InChI Key :KQIGMPWTAHJUMN-VKHMYHEASA-N
M.W : 91.11 Pubchem ID :440902
Synonyms :

Calculated chemistry of [ 61278-21-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 6
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 3.0
Molar Refractivity : 21.57
TPSA : 66.48 ?2

Pharmacokinetics

GI absorption : High
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) : -8.29 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.89
Log Po/w (XLOGP3) : -2.02
Log Po/w (WLOGP) : -1.7
Log Po/w (MLOGP) : -1.51
Log Po/w (SILICOS-IT) : -1.2
Consensus Log Po/w : -1.11

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 3.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 1.0
Solubility : 911.0 mg/ml ; 9.99 mol/l
Class : Highly soluble
Log S (Ali) : 1.15
Solubility : 1280.0 mg/ml ; 14.1 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.87
Solubility : 669.0 mg/ml ; 7.35 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.29

Safety of [ 61278-21-5 ]

Signal Word:Danger Class:8
Precautionary Statements:P501-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405 UN#:2735
Hazard Statements:H314 Packing Group:
GHS Pictogram:
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