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CAS 84761-04-6 4-benzyl-2,2-dimethylmorpholine molecular structure lightbox
CAS RN: 84761-04-6

4-benzyl-2,2-dimethylmorpholine

  • Product code: SSC-192337
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 84761-04-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 4 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

84761-04-6 / 4-benzyl-2,2-dimethylmorpholine

Standard CAS: 84761-04-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84761-04-6
Multi CAS
No
Molecular Formula
C13H19NO
Molecular Weight
205.300000
Exact Mass
205.146664
InChI
InChI=1S/C13H19NO/c1-13(2)11-14(8-9-15-13)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKey
VHCKNNCYYBMEFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
61.75
TPSA
12.47

LogP / Solubility

WLOGP
2.3
MLOGP
2.02
XLogP3
2
Consensus LogP
2.11
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly 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)
-2.34

Drug-likeness / Medicinal Chemistry

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

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