CAS RN: 2450-71-7
Propargylamine
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250602 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250612 | 10g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250929 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250526 | 250g | In stock | Shanghai | Inquiry |
| Batchno.20251226 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250304 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: ICTP0911
- Purity/Analytical Methods: >97.0%(GC)
2450-71-7 / prop-1-yn-1-amine
Basic Information
CAS
2450-71-7
Multi CAS
No
Molecular Formula
C3H5N
Molecular Weight
55.080000
Exact Mass
55.042199
SMILES
CC#CN
InChI
InChI=1S/C3H5N/c1-2-3-4/h4H2,1H3
InChIKey
RTWCHRMHGXBETA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
4
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
17.64
TPSA
26.02
LogP / Solubility
WLOGP
-0.07
MLOGP
-0.08
XLogP3
0.6
Consensus LogP
0.15
Log S (ESOL)
-0.13
Class (ESOL)
Very soluble
Log S (Ali)
0.04
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.04
Class (SILICOS-IT)
Highly 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)
-3.11
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
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