CAS RN: 33563-54-1
N,N’-DIMETHYL-1,8-OCTANEDIAMINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250706 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS33563-54-1
- Purity/Analytical Methods: >99.0%
33563-54-1 / N,N'-dimethyloctane-1,8-diamine
Basic Information
CAS
33563-54-1
Multi CAS
No
Molecular Formula
C10H24N2
Molecular Weight
172.310000
Exact Mass
172.193949
InChI
InChI=1S/C10H24N2/c1-11-9-7-5-3-4-6-8-10-12-2/h11-12H,3-10H2,1-2H3
InChIKey
JWMBTMQPVIYUAC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.56
TPSA
24.06
LogP / Solubility
WLOGP
1.77
MLOGP
1.55
XLogP3
1.9
Consensus LogP
1.74
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly 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)
-2.52
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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