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CAS 4013-98-3 N,N’-Dicyclohexyl-1,2-ethanediamine molecular structure lightbox
CAS RN: 4013-98-3

N,N’-Dicyclohexyl-1,2-ethanediamine

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250517 1g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250223 5g In stock Shandong Inquiry
  • Product code: SSC-148109
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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: ＞95%
  • 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 4013-98-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shanghai Inquiry

4013-98-3 / N,N'-dicyclohexylethane-1,2-diamine

Standard CAS: 4013-98-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4013-98-3
Multi CAS
Yes
Molecular Formula
C14H28N2
Molecular Weight
224.390000
Exact Mass
224.225249
InChI
InChI=1S/C14H28N2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h13-16H,1-12H2
InChIKey
JMRWVHXGVONXEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.75
TPSA
24.06

LogP / Solubility

WLOGP
2.83
MLOGP
2.49
XLogP3
3
Consensus LogP
2.77
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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