![CAS 1419590-58-1 2-oxa-7-azaspiro[4.4]nonane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB43044023(1).gif)
CAS RN: 1419590-58-1
2-oxa-7-azaspiro[4.4]nonane hydrochloride
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS1419590-58-1
- Purity/Analytical Methods: >99.0%
1419590-58-1 / 2-oxa-7-azaspiro[4.4]nonane;hydrochloride
Basic Information
CAS
1419590-58-1
Multi CAS
No
Molecular Formula
C7H14ClNO
Molecular Weight
163.640000
Exact Mass
163.076392
SMILES
C1CNCC12CCOC2.Cl
InChI
InChI=1S/C7H13NO.ClH/c1-3-8-5-7(1)2-4-9-6-7;/h8H,1-6H2;1H
InChIKey
WUDSMBVEMCDBBA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.6
TPSA
21.26
LogP / Solubility
WLOGP
0.81
MLOGP
0.71
XLogP3
0.81
Consensus LogP
0.78
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
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)
-3.14
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]
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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