![CAS 1779133-13-9 6-Oxaspiro[2.5]octan-1-amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52698471.gif)
CAS RN: 1779133-13-9
6-Oxaspiro[2.5]octan-1-amine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250824 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1779133-13-9
- Purity/Analytical Methods: >99.0%
1779133-13-9 / 6-oxaspiro[2.5]octan-2-amine;hydrochloride
Basic Information
CAS
1779133-13-9
Multi CAS
No
Molecular Formula
C7H14ClNO
Molecular Weight
163.640000
Exact Mass
163.076392
SMILES
C1COCCC12CC2N.Cl
InChI
InChI=1S/C7H13NO.ClH/c8-6-5-7(6)1-3-9-4-2-7;/h6H,1-5,8H2;1H
InChIKey
RKFXIXFIFUKFDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.33
TPSA
35.25
LogP / Solubility
WLOGP
0.94
MLOGP
0.82
XLogP3
0.94
Consensus LogP
0.9
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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