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CAS RN: 1450752-97-2
2-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)ethan-1-amine
Product Availability
Choose a grade to view its available package options.
7 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250410 | 100mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260209 | 1g | Out of stock | Inquiry | |
| Batchno.20250312 | 250mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250225 | 25mg | Out of stock | Inquiry | |
| Batchno.20250625 | 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
| Batchno.20250302 | 50mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251031 | 5g | Out of stock | Inquiry |
- Product code: SSC-056438
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: 0.1g, 0.25g, 1g
- 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.
1450752-97-2 / 2-(3-but-3-ynyldiazirin-3-yl)ethanamine
Basic Information
CAS
1450752-97-2
Multi CAS
No
Molecular Formula
C7H11N3
Molecular Weight
137.180000
Exact Mass
137.095297
SMILES
C#CCCC1(N=N1)CCN
InChI
InChI=1S/C7H11N3/c1-2-3-4-7(5-6-8)9-10-7/h1H,3-6,8H2
InChIKey
FMCIBERQJQEYIZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.33
TPSA
50.74
LogP / Solubility
WLOGP
0.91
MLOGP
0.79
XLogP3
0.5
Consensus LogP
0.73
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
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)
-2.91
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)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H227 (50%): Combustible liquid [Warning Flammable liquids]
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403, P403+P233, P405, and P501
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![CAS 1450764-52-9 “1,1,1-Trifluoro-N-[(11bS)-4-oxido-2,6-bis(triphenylsilyl)dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]methanesulfonamide,99%e.e.” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1450764-52-9(2).gif)
