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 | Hong Kong | Inquiry |
26772-34-9 / cyclohexane-1,3-diamine
Basic Information
CAS
26772-34-9
Multi CAS
Yes
Molecular Formula
C6H14N2
Molecular Weight
114.190000
Exact Mass
114.115698
InChI
InChI=1S/C6H14N2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,7-8H2
InChIKey
GEQHKFFSPGPGLN-UHFFFAOYSA-N
Physical Properties
Physical Description
Colorless liquid with an ammoniacal odor
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.42
TPSA
52.04
LogP / Solubility
WLOGP
0.22
MLOGP
0.18
XLogP3
-0.3
Consensus LogP
0.03
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
Class (SILICOS-IT)
Very 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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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4,4′-Methylenebis(cyclohexylamine) (mixture of isomers)
- CAS RN: 1761-71-3
- Product Code: ICTM0699
- Purity/Analytical method: >97.0%(GC)(T)
