CAS RN: 42195-97-1
4-Ethylcyclohexylamine (cis- and trans- mixture)
- Product code: SSC-150525
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
42195-97-1 / 4-ethylcyclohexan-1-amine
Basic Information
CAS
42195-97-1
Multi CAS
No
Molecular Formula
C8H17N
Molecular Weight
127.230000
Exact Mass
127.136100
InChI
InChI=1S/C8H17N/c1-2-7-3-5-8(9)6-4-7/h7-8H,2-6,9H2,1H3
InChIKey
IKQCKANHUYSABG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.22
TPSA
26.02
LogP / Solubility
WLOGP
1.91
MLOGP
1.68
XLogP3
1.9
Consensus LogP
1.83
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
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)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
