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CAS 947-92-2 N-NITROSO DICYCLOHEXYLAMINE molecular structure lightbox
CAS RN: 947-92-2

N-NITROSO DICYCLOHEXYLAMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251029 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS947-92-2
  • Purity/Analytical Methods: >99.0%
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947-92-2 / N,N-dicyclohexylnitrous amide

Standard CAS: 947-92-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
947-92-2
Multi CAS
No
Molecular Formula
C12H22N2O
Molecular Weight
210.320000
Exact Mass
210.173213
InChI
InChI=1S/C12H22N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey
CYMNKXLBEMEABS-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
61.38
TPSA
32.67

LogP / Solubility

WLOGP
3.64
MLOGP
3.2
XLogP3
3.8
Consensus LogP
3.55
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly 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)
-1.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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