CAS 1448046-14-7 6-Oxaspiro[4.5]dec-9-ylamine hydrochloride molecular structure

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CAS RN: 1448046-14-7

6-Oxaspiro[4.5]dec-9-ylamine hydrochloride

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Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20250805	1g / 2.5g	Out of stock	30 business days	Inquiry

Product code: starshine_CAS1448046-14-7
Purity/Analytical Methods: >99.0%

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1448046-14-7 / 6-oxaspiro[4.5]decan-9-amine;hydrochloride

Standard CAS: 1448046-14-7 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

1448046-14-7

Multi CAS

Molecular Formula

C9H18ClNO

Molecular Weight

191.700000

Exact Mass

191.107692

SMILES

C1CCC2(C1)CC(CCO2)N.Cl

InChI

InChI=1S/C9H17NO.ClH/c10-8-3-6-11-9(7-8)4-1-2-5-9;/h8H,1-7,10H2;1H

InChIKey

BUJYNMULMSPYHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

H-bond acceptors

H-bond donors

Molar refractivity

51.61

TPSA

35.25

LogP / Solubility

WLOGP

1.86

MLOGP

1.63

XLogP3

1.86

Consensus LogP

1.78

Log S (ESOL)

-2.2

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.47

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.45

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.57

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

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