[email protected]
CAS 122116-12-5 2-(2-Propynyloxy)ethylamine molecular structure lightbox
CAS RN: 122116-12-5

2-(2-Propynyloxy)ethylamine

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251228 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250330 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260604 1g In stock Shenzhen, Chengdu Inquiry
Batchno.20260529 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20260214 25g In stock Shenzhen, Chengdu Inquiry
Batchno.20260524 5g Out of stock Inquiry
  • Product code: SSC-025035
GET A QUOTE
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: 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 122116-12-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

122116-12-5 / 2-prop-2-ynoxyethanamine

Standard CAS: 122116-12-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
122116-12-5
Multi CAS
No
Molecular Formula
C5H9NO
Molecular Weight
99.130000
Exact Mass
99.068414
SMILES
C#CCOCCN
InChI
InChI=1S/C5H9NO/c1-2-4-7-5-3-6/h1H,3-6H2
InChIKey
MZFRRBQTCNHISM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.71
TPSA
35.25

LogP / Solubility

WLOGP
-0.41
MLOGP
-0.37
XLogP3
-0.7
Consensus LogP
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.08
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.33
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.61

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)
Flammable Corrosive
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us