CAS RN: 6066-83-7
Pentanenitrile, 5-aMino-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250430 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6066-83-7
- Purity/Analytical Methods: >99.0%
6066-83-7 / 5-aminopentanenitrile
Basic Information
CAS
6066-83-7
Multi CAS
Yes
Molecular Formula
C5H10N2
Molecular Weight
98.150000
Exact Mass
98.084398
InChI
InChI=1S/C5H10N2/c6-4-2-1-3-5-7/h1-4,6H2
InChIKey
JJUPHRIAFLAURY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.52
TPSA
49.81
LogP / Solubility
WLOGP
0.64
MLOGP
0.55
XLogP3
-0.3
Consensus LogP
0.3
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.19
Class (SILICOS-IT)
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)
-2.87
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
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