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CAS 2579-20-6 1,3-Bis(aminomethyl)cyclohexane (cis- and trans- mixture) molecular structure lightbox
CAS RN: 2579-20-6

1,3-Bis(aminomethyl)cyclohexane (cis- and trans- mixture)

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250501 1g / 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250620 1g Out of stock 8-10 business days Inquiry
  • Product code: ICTB1005
  • Purity/Analytical Methods: >98.0%(GC)(T)
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2579-20-6 / [3-(aminomethyl)cyclohexyl]methanamine

Standard CAS: 2579-20-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2579-20-6
Multi CAS
No
Molecular Formula
C8H18N2
Molecular Weight
142.240000
Exact Mass
142.146999
SMILES
C1CC(CC(C1)CN)CN
InChI
InChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2
InChIKey
QLBRROYTTDFLDX-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.56
TPSA
52.04

LogP / Solubility

WLOGP
0.71
MLOGP
0.62
XLogP3
0.2
Consensus LogP
0.51
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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