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CAS 2121-79-1 cis-1,4-Cyclohexanediamine Dihydrochloride molecular structure lightbox
CAS RN: 2121-79-1

cis-1,4-Cyclohexanediamine Dihydrochloride

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251210 1g In stock Inquiry
Batchno.20250910 5g In stock Inquiry
  • Product code: SSC-101295
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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: 5g
  • Available purity: 0
  • 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 2121-79-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g 0 0 Out of Stock Hong Kong Inquiry

2121-79-1 / cyclohexane-1,4-diamine;dihydrochloride

Standard CAS: 2121-79-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2121-79-1
Multi CAS
No
Molecular Formula
C6H16Cl2N2
Molecular Weight
187.110000
Exact Mass
186.069054
SMILES
C1CC(CCC1N)N.Cl.Cl
InChI
InChI=1S/C6H14N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h5-6H,1-4,7-8H2;2*1H
InChIKey
LSWJXVMHLYPGPM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.91
TPSA
52.04

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
1.06
Consensus LogP
1.02
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
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)
-3.11

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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