![CAS 1706435-18-8 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1706435-18-8.gif)
CAS RN: 1706435-18-8
3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane
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.20250130 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1706435-18-8
- Purity/Analytical Methods: >99.0%
1706435-18-8 / 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane
Basic Information
CAS
1706435-18-8
Multi CAS
No
Molecular Formula
C9H17NO
Molecular Weight
155.240000
Exact Mass
155.131014
SMILES
CC1(CC2(CCNC2)CO1)C
InChI
InChI=1S/C9H17NO/c1-8(2)5-9(7-11-8)3-4-10-6-9/h10H,3-7H2,1-2H3
InChIKey
VLVLCKNPSNJGDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.57
TPSA
21.26
LogP / Solubility
WLOGP
1.17
MLOGP
1.02
XLogP3
0.6
Consensus LogP
0.93
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-2.84
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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