CAS RN: 886500-96-5
N-TERT-BUTYL-N’-CYCLOPROPYL ETHYLENEDIAMINE
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.20251209 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS886500-96-5
- Purity/Analytical Methods: >99.0%
886500-96-5 / N'-tert-butyl-N-cyclopropylethane-1,2-diamine
Basic Information
CAS
886500-96-5
Multi CAS
No
Molecular Formula
C9H20N2
Molecular Weight
156.270000
Exact Mass
156.162649
InChI
InChI=1S/C9H20N2/c1-9(2,3)11-7-6-10-8-4-5-8/h8,10-11H,4-7H2,1-3H3
InChIKey
JTFXZMAKBGEJNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.78
TPSA
24.06
LogP / Solubility
WLOGP
1.13
MLOGP
0.99
XLogP3
0.9
Consensus LogP
1.01
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
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)
-2.87
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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