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CAS 1192-92-3 2,5-Diazabicyclo[2.2.2]octane Dihydrochloride molecular structure lightbox
CAS RN: 1192-92-3

2,5-Diazabicyclo[2.2.2]octane Dihydrochloride

  • Product code: SSC-019694
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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: 0.25g, 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 1192-92-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1192-92-3 / 2,5-diazabicyclo[2.2.2]octane;dihydrochloride

2,5-Diazabicyclo[2.2.2]octane dihydrochloride | 2,5-diazabicyclo(2.2.2)octane dihydrochloride | RefChem:444215

Standard CAS: 1192-92-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1192-92-3
Multi CAS
Yes
Molecular Formula
C6H14Cl2N2
Molecular Weight
185.090000
Exact Mass
184.053404
SMILES
C1CC2CNC1CN2.Cl.Cl
InChI
InChI=1S/C6H12N2.2ClH/c1-2-6-4-7-5(1)3-8-6;;/h5-8H,1-4H2;2*1H
InChIKey
MYIPGNFIOPNJBA-UHFFFAOYSA-N
Synonyms
2,5-Diazabicyclo[2.2.2]octane dihydrochloride 2,5-diazabicyclo(2.2.2)octane dihydrochloride RefChem:444215 852-568-1 2,5-diazabicyclo[2.2.2]octane;dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.31
TPSA
24.06

LogP / Solubility

WLOGP
0.55
MLOGP
0.49
XLogP3
0.55
Consensus LogP
0.53
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
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)
-3.46

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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