CAS RN: 4385-04-0
N,N-DIMETHYLHEXYLAMINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251128 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS4385-04-0
- Purity/Analytical Methods: >99.0%
4385-04-0 / N,N-dimethylhexan-1-amine
Basic Information
CAS
4385-04-0
Multi CAS
No
Molecular Formula
C8H19N
Molecular Weight
129.240000
Exact Mass
129.151750
InChI
InChI=1S/C8H19N/c1-4-5-6-7-8-9(2)3/h4-8H2,1-3H3
InChIKey
QMHNQZGXPNCMCO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
42.7
TPSA
3.24
LogP / Solubility
WLOGP
2.13
MLOGP
1.86
XLogP3
2.6
Consensus LogP
2.2
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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)
-2
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
