CAS RN: 1343024-86-1

2,6-Dioxa-spiro[4.5]dec-9-ylamine

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Batchno.20250801 5mg / 50mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1343024-86-1
  • Purity/Analytical Methods: >99.0%
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1343024-86-1 / 2,6-dioxaspiro[4.5]decan-9-amine

Standard CAS: 1343024-86-1 Multi CAS: No

Basic Information

CAS
1343024-86-1
Multi CAS
No
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
SMILES
C1COC2(CCOC2)CC1N
InChI
InChI=1S/C8H15NO2/c9-7-1-3-11-8(5-7)2-4-10-6-8/h7H,1-6,9H2
InChIKey
OKTVRYAQXUEGCP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.33
TPSA
44.48

LogP / Solubility

WLOGP
0.28
MLOGP
0.24
XLogP3
-0.4
Consensus LogP
0.04
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very 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)
-3.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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