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CAS 20969-02-2 3-azabicyclo[3.2.1]octane hydrochloride molecular structure lightbox
CAS RN: 20969-02-2

3-azabicyclo[3.2.1]octane hydrochloride

  • Product code: SSC-099469
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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: 1g
  • 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 20969-02-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

20969-02-2 / 3-azabicyclo[3.2.1]octane;hydrochloride

Standard CAS: 20969-02-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20969-02-2
Multi CAS
No
Molecular Formula
C7H14ClN
Molecular Weight
147.640000
Exact Mass
147.081477
SMILES
C1CC2CC1CNC2.Cl
InChI
InChI=1S/C7H13N.ClH/c1-2-7-3-6(1)4-8-5-7;/h6-8H,1-5H2;1H
InChIKey
LYOOHTXASHKGPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.95
TPSA
12.03

LogP / Solubility

WLOGP
1.43
MLOGP
1.25
XLogP3
1.43
Consensus LogP
1.37
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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