CAS RN: 64091-91-4
4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock2 grade groups
- Product code: SSC-173870
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g, 5g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Beijing | Inquiry |
| 0.1g | >97% | 3 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 3 In Stock | Shanghai | Inquiry |
| 25g | >97% | 3 In Stock | Hong Kong | Inquiry |
64091-91-4 / N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide
Basic Information
CAS
64091-91-4
Multi CAS
Yes
Molecular Formula
C10H13N3O2
Molecular Weight
207.230000
Exact Mass
207.100777
InChI
InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3
InChIKey
FLAQQSHRLBFIEZ-UHFFFAOYSA-N
Physical Properties
Melting Point
151 to 153 °F (NTP, 1992)
63 °C
64 °C
Density
less than 1 (NTP, 1992)
Physical Description
4-(n-nitroso-n-methylamino)-1-(3-pyridyl)-1-butanone (nnk) is a pale yellow crystalline solid. (NTP, 1992)
Pale yellow solid; [CAMEO] White solid;
Solid
Appearance
Light-yellow crystalline soild
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
56.23
TPSA
62.63
LogP / Solubility
WLOGP
1.66
MLOGP
1.46
XLogP3
0.8
Consensus LogP
1.31
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly soluble
ADME
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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