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CAS 1450752-97-2 2-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)ethan-1-amine molecular structure lightbox
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.PackageAvailabilityWarehouseInquiry
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
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1450752-97-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Hong Kong Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1450752-97-2 / 2-(3-but-3-ynyldiazirin-3-yl)ethanamine

Standard CAS: 1450752-97-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

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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