CAS RN: 2978-58-7
1,1-Dimethylpropargylamine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250807 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Chongqing, Guangdong | Inquiry |
- Product code: starshine_CAS2978-58-7
- Purity/Analytical Methods: >99.0%
2978-58-7 / 2-methylbut-3-yn-2-amine
Basic Information
CAS
2978-58-7
Multi CAS
Yes
Molecular Formula
C5H9N
Molecular Weight
83.130000
Exact Mass
83.073499
InChI
InChI=1S/C5H9N/c1-4-5(2,3)6/h1H,6H2,2-3H3
InChIKey
VUGCBIWQHSRQBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.1
TPSA
26.02
LogP / Solubility
WLOGP
0.36
MLOGP
0.3
Consensus LogP
0.22
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.5
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
Class (SILICOS-IT)
Very 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)
-2.97
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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