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CAS 1321518-38-0 6-Oxa-9-azaspiro[4.5]decane hydrochloride molecular structure lightbox
CAS RN: 1321518-38-0

6-Oxa-9-azaspiro[4.5]decane hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260602 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1321518-38-0
  • Purity/Analytical Methods: >99.0%
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1321518-38-0 / 6-oxa-9-azaspiro[4.5]decane;hydrochloride

Standard CAS: 1321518-38-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1321518-38-0
Multi CAS
No
Molecular Formula
C8H16ClNO
Molecular Weight
177.670000
Exact Mass
177.092042
SMILES
C1CCC2(C1)CNCCO2.Cl
InChI
InChI=1S/C8H15NO.ClH/c1-2-4-8(3-1)7-9-5-6-10-8;/h9H,1-7H2;1H
InChIKey
DLANBMNXKUHFJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.27
TPSA
21.26

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
1.34
Consensus LogP
1.29
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.85

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)
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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