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CAS 3385-21-5 1,3-Cyclohexanediamine (cis- and trans- mixture) molecular structure lightbox
CAS RN: 3385-21-5

1,3-Cyclohexanediamine (cis- and trans- mixture)

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251129 1ml / 5mL / 25ml / 100ml Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250314 1ml In stock Shanghai Inquiry
  • Product code: SSC-140006
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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: ＞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 3385-21-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

3385-21-5 / cyclohexane-1,3-diamine

Standard CAS: 3385-21-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3385-21-5
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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