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CAS 91-65-6 N,N-Diethylcyclohexylamine molecular structure lightbox
CAS RN: 91-65-6

N,N-Diethylcyclohexylamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250911 5mL / 25ml / 100ml Confirm by inquiry Chongqing, Shanghai Inquiry
  • Product code: ICTD0484
  • Purity/Analytical Methods: >98.0%(GC)(T)
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91-65-6 / N,N-diethylcyclohexanamine

Standard CAS: 91-65-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
91-65-6
Multi CAS
No
Molecular Formula
C10H21N
Molecular Weight
155.280000
Exact Mass
155.167400
InChI
InChI=1S/C10H21N/c1-3-11(4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3
InChIKey
CIXSDMKDSYXUMJ-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
49.79
TPSA
3.24

LogP / Solubility

WLOGP
2.66
MLOGP
2.34
XLogP3
2.8
Consensus LogP
2.6
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
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)
-1.78

Drug-likeness / Medicinal Chemistry

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

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