CAS RN: 7396-58-9
Didecylmethylamine
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: ICTD2311
- Purity/Analytical Methods: >95.0%(GC)
7396-58-9 / N-decyl-N-methyldecan-1-amine
Basic Information
CAS
7396-58-9
Multi CAS
Yes
Molecular Formula
C21H45N
Molecular Weight
311.600000
Exact Mass
311.355200
InChI
InChI=1S/C21H45N/c1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3
InChIKey
ATBNMWWDBWBAHM-UHFFFAOYSA-N
Physical Properties
Physical Description
Didecylmethyl amine appears as a clear slightly light yellow liquid with a fishlike odor. Insoluble in water and less dense than water. Hence floats on water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation or skin absorption. Used to make other chemicals.
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
18
H-bond acceptors
1
Molar refractivity
102.72
TPSA
3.24
LogP / Solubility
WLOGP
7.2
MLOGP
6.35
XLogP3
9.3
Consensus LogP
7.62
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.82
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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