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CAS 696-57-1 4-Allylmorpholine molecular structure lightbox
CAS RN: 696-57-1

4-Allylmorpholine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260630 1ml / 5ml / 25ml Out of stock 8-10 business days Inquiry
  • Product code: SSC-179300
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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: 5g
  • 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 696-57-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

696-57-1 / 4-prop-2-enylmorpholine

Standard CAS: 696-57-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
696-57-1
Multi CAS
Yes
Molecular Formula
C7H13NO
Molecular Weight
127.180000
Exact Mass
127.099714
InChI
InChI=1S/C7H13NO/c1-2-3-8-4-6-9-7-5-8/h2H,1,3-7H2
InChIKey
SUSANAYXICMXBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
37.46
TPSA
12.47

LogP / Solubility

WLOGP
0.5
MLOGP
0.44
XLogP3
0.5
Consensus LogP
0.48
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.15
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)
-3.14

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

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