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CAS 3114-70-3 1,4-Cyclohexanediamine (cis- and trans- mixture) molecular structure lightbox
CAS RN: 3114-70-3

1,4-Cyclohexanediamine (cis- and trans- mixture)

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251023 100g In stock Shanghai, Tianjin Inquiry
Batchno.20260217 1kg In stock Shanghai Inquiry
Batchno.20250721 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251028 500g In stock Shanghai, Shenzhen Inquiry
Batchno.20260512 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-136408
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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: 100g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3114-70-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry

3114-70-3 / cyclohexane-1,4-diamine

Standard CAS: 3114-70-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3114-70-3
Multi CAS
Yes
Molecular Formula
C6H14N2
Molecular Weight
114.190000
Exact Mass
114.115698
InChI
InChI=1S/C6H14N2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4,7-8H2
InChIKey
VKIRRGRTJUUZHS-UHFFFAOYSA-N

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
1.5

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