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CAS 67496-77-9 1-Azabicyclo[2.2.2]octane-4-methanamine dihydrochloride molecular structure lightbox
CAS RN: 67496-77-9

1-Azabicyclo[2.2.2]octane-4-methanamine dihydrochloride

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250123 100mg Out of stock Inquiry
Batchno.20250903 50mg Out of stock Inquiry
  • Product code: SSC-177180
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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 67496-77-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

67496-77-9 / 1-azabicyclo[2.2.2]octan-4-ylmethanamine;dihydrochloride

Standard CAS: 67496-77-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67496-77-9
Multi CAS
No
Molecular Formula
C8H18CL2N2
Molecular Weight
213.150000
Exact Mass
212.084704
InChI
InChI=1S/C8H16N2.2ClH/c9-7-8-1-4-10(5-2-8)6-3-8;;/h1-7,9H2;2*1H
InChIKey
LBUSICHYWZXLKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.27
TPSA
29.26

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
1.27
Consensus LogP
1.22
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately 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)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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