Home Cart 0 Sign in  

[ CAS No. 88-12-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
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| 88-12-0
Chemical Structure| 88-12-0
Structure of 88-12-0 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 88-12-0 ]

Related Doc. of [ 88-12-0 ]

Alternatived Products of [ 88-12-0 ]
Product Citations

Product Details of [ 88-12-0 ]

CAS No. :88-12-0 MDL No. :MFCD00003197
Formula : C6H9NO Boiling Point : No data available
Linear Structure Formula :CH2CH(NC3H6CO) InChI Key :WHNWPMSKXPGLAX-UHFFFAOYSA-N
M.W : 111.14 Pubchem ID :6917
Synonyms :
Chemical Name :1-Vinyl-2-pyrrolidone

Calculated chemistry of [ 88-12-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 35.38
TPSA : 20.31 Ų

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) : -6.72 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.58
Log Po/w (XLOGP3) : 0.37
Log Po/w (WLOGP) : 0.37
Log Po/w (MLOGP) : 0.37
Log Po/w (SILICOS-IT) : 1.09
Consensus Log Po/w : 0.76

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.7
Solubility : 22.4 mg/ml ; 0.201 mol/l
Class : Very soluble
Log S (Ali) : -0.36
Solubility : 48.3 mg/ml ; 0.435 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.6
Solubility : 28.0 mg/ml ; 0.252 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.54

Safety of [ 88-12-0 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P501-P261-P270-P202-P201-P271-P264-P280-P308+P313-P361+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338+P310-P403+P233-P405 UN#:2810
Hazard Statements:H311-H302+H332-H315-H318-H351-H335 Packing Group:
GHS Pictogram:
Recommend Products
Same Skeleton Products
Historical Records
; ;