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CAS 45513-32-4 3-Aminomethyl-3-hydroxymethyloxetane molecular structure lightbox
CAS RN: 45513-32-4

3-Aminomethyl-3-hydroxymethyloxetane

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251012 100mg In stock Shanghai Inquiry
Batchno.20250517 1g In stock Shanghai Inquiry
Batchno.20250216 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251107 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-153260
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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, 5g
  • 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 45513-32-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

45513-32-4 / [3-(aminomethyl)oxetan-3-yl]methanol

Standard CAS: 45513-32-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
45513-32-4
Multi CAS
Yes
Molecular Formula
C5H11NO2
Molecular Weight
117.150000
Exact Mass
117.078979
InChI
InChI=1S/C5H11NO2/c6-1-5(2-7)3-8-4-5/h7H,1-4,6H2
InChIKey
GGYZOSLAJSUXRM-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
29.39
TPSA
55.48

LogP / Solubility

WLOGP
-1.05
MLOGP
-0.93
XLogP3
-1.7
Consensus LogP
-1.23
Log S (ESOL)
0.22
Class (ESOL)
Highly soluble
Log S (Ali)
0.23
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.21
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.18

Drug-likeness / Medicinal Chemistry

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

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