CAS RN: 38362-02-6
N-Methyl-cyclohexane-1,4-diamine
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS38362-02-6
- Purity/Analytical Methods: >99.0%
38362-02-6 / 4-N-methylcyclohexane-1,4-diamine
Basic Information
CAS
38362-02-6
Multi CAS
No
Molecular Formula
C7H16N2
Molecular Weight
128.220000
Exact Mass
128.131349
InChI
InChI=1S/C7H16N2/c1-9-7-4-2-6(8)3-5-7/h6-7,9H,2-5,8H2,1H3
InChIKey
OBLKGLNRMMXCFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.29
TPSA
38.05
LogP / Solubility
WLOGP
0.48
MLOGP
0.41
XLogP3
0.2
Consensus LogP
0.36
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.01
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)
-3.16
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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