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CAS 854697-78-2 1-(OXAN-4-YL)ETHAN-1-AMINE molecular structure lightbox
CAS RN: 854697-78-2

1-(OXAN-4-YL)ETHAN-1-AMINE

  • Product code: SSC-193874
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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 854697-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

854697-78-2 / 1-(oxan-4-yl)ethanamine

Standard CAS: 854697-78-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
854697-78-2
Multi CAS
No
Molecular Formula
C7H15NO
Molecular Weight
129.200000
Exact Mass
129.115364
InChI
InChI=1S/C7H15NO/c1-6(8)7-2-4-9-5-3-7/h6-7H,2-5,8H2,1H3
InChIKey
WMPAKQDIADKRAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.19
TPSA
35.25

LogP / Solubility

WLOGP
0.76
MLOGP
0.66
XLogP3
0.3
Consensus LogP
0.57
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
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)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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