CAS RN: 1975-78-6
Decanenitrile
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-093130
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1975-78-6 / decanenitrile
Basic Information
CAS
1975-78-6
Multi CAS
No
Molecular Formula
C10H19N
Molecular Weight
153.260000
Exact Mass
153.151750
SMILES
CCCCCCCCCC#N
InChI
InChI=1S/C10H19N/c1-2-3-4-5-6-7-8-9-10-11/h2-9H2,1H3
InChIKey
HBZDPWBWBJMYRY-UHFFFAOYSA-N
Physical Properties
Boiling Point
Boiling point equals 241°C
Physical Description
Clear liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.9
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
48.22
TPSA
23.79
LogP / Solubility
WLOGP
3.65
MLOGP
3.21
XLogP3
3.7
Consensus LogP
3.52
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly 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)
-1.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H315 (94.3%): Causes skin irritation [Warning Skin corrosion/irritation]
H400 (94.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (87.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501
