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CAS 1456-28-6 N-nitroso-2,6-dimethylmorpholine molecular structure lightbox
CAS RN: 1456-28-6

N-nitroso-2,6-dimethylmorpholine

  • Product code: SSC-056888
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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 1456-28-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

1456-28-6 / 2,6-dimethyl-4-nitrosomorpholine

Standard CAS: 1456-28-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1456-28-6
Multi CAS
No
Molecular Formula
C6H12N2O2
Molecular Weight
144.170000
Exact Mass
144.089878
SMILES
CC1CN(CC(O1)C)N=O
InChI
InChI=1S/C6H12N2O2/c1-5-3-8(7-9)4-6(2)10-5/h5-6H,3-4H2,1-2H3
InChIKey
DPYMAXOKJUBANR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.38
TPSA
41.9

LogP / Solubility

WLOGP
0.78
MLOGP
0.68
XLogP3
0.3
Consensus LogP
0.59
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.05

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
2.5

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