CAS RN: 5762-56-1
Tris(dimethylamino)methane (stabilized with KOH)
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: ICTT1057
- Purity/Analytical Methods: >97.0%(T)
5762-56-1 / N,N,N',N',N",N"-hexamethylmethanetriamine
Basic Information
CAS
5762-56-1
Multi CAS
No
Molecular Formula
C7H19N3
Molecular Weight
145.250000
Exact Mass
145.157898
InChI
InChI=1S/C7H19N3/c1-8(2)7(9(3)4)10(5)6/h7H,1-6H3
InChIKey
MUMVIYLVHVCYGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
44.85
TPSA
9.72
LogP / Solubility
WLOGP
-0.05
MLOGP
-0.05
XLogP3
0.6
Consensus LogP
0.17
Log S (ESOL)
-0.51
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very 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)
-3.64
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
1.5
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