CAS RN: 160499-09-2

5-Azaspiro[3.5]nonane(9CI)

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Batchno.20260214 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS160499-09-2
  • Purity/Analytical Methods: >99.0%
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160499-09-2 / 5-azaspiro[3.5]nonane

Standard CAS: 160499-09-2 Multi CAS: No

Basic Information

CAS
160499-09-2
Multi CAS
No
Molecular Formula
C8H15N
Molecular Weight
125.210000
Exact Mass
125.120449
SMILES
C1CCNC2(C1)CCC2
InChI
InChI=1S/C8H15N/c1-2-7-9-8(4-1)5-3-6-8/h9H,1-7H2
InChIKey
JEBNHAMFJMYJJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.44
TPSA
12.03

LogP / Solubility

WLOGP
1.68
MLOGP
1.47
XLogP3
1.4
Consensus LogP
1.52
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H227 (100%): Combustible liquid [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

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