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CAS 1554288-33-3 3-(2-Aminoethyl)oxetan-3-ol molecular structure lightbox
CAS RN: 1554288-33-3

3-(2-Aminoethyl)oxetan-3-ol

  • Product code: SSC-064707
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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: 1g
  • Available purity: ≥95%
  • 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 1554288-33-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1554288-33-3 / 3-(2-aminoethyl)oxetan-3-ol

Standard CAS: 1554288-33-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1554288-33-3
Multi CAS
No
Molecular Formula
C5H11NO2
Molecular Weight
117.150000
Exact Mass
117.078979
SMILES
C1C(CO1)(CCN)O
InChI
InChI=1S/C5H11NO2/c6-2-1-5(7)3-8-4-5/h7H,1-4,6H2
InChIKey
PQIKHRFVWQGSGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
29.44
TPSA
55.48

LogP / Solubility

WLOGP
-0.9
MLOGP
-0.81
XLogP3
-1
Consensus LogP
-0.9
Log S (ESOL)
0.13
Class (ESOL)
Highly soluble
Log S (Ali)
0.13
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.09
Class (SILICOS-IT)
Highly 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)
-4.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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