CAS 10581-38-1 2,2,6,6-TETRAMETHYL-4-PIPERIDONE MONOHYDRATE molecular structure

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CAS RN: 10581-38-1

2,2,6,6-TETRAMETHYL-4-PIPERIDONE MONOHYDRATE

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2 package records1 with current stock1 grade group

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Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250721	100g	In stock	Shanghai	Inquiry
Batchno.20260324	500g	Out of stock		Inquiry

Product code: starshine_CAS10581-38-1
Purity/Analytical Methods: >99.0%

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10581-38-1 / 2,2,6,6-tetramethylpiperidin-4-one;hydrate

4-Piperidinone, 2,2,6,6-tetramethyl-, monohydrate | RefChem:526542 | 2,2,6,6-Tetramethyl-4-piperidone hydrate

Standard CAS: 10581-38-1 Multi CAS: Yes

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

10581-38-1

Multi CAS

Yes

Molecular Formula

C9H19NO2

Molecular Weight

173.250000

Exact Mass

173.141579

SMILES

CC1(CC(=O)CC(N1)(C)C)C.O

InChI

InChI=1S/C9H17NO.H2O/c1-8(2)5-7(11)6-9(3,4)10-8;/h10H,5-6H2,1-4H3;1H2

InChIKey

SFDODBGIDPNFEH-UHFFFAOYSA-N

Synonyms

4-Piperidinone, 2,2,6,6-tetramethyl-, monohydrate RefChem:526542 2,2,6,6-Tetramethyl-4-piperidone hydrate 2,2,6,6-Tetramethyl-4-piperidone monohydrate 2,2,6,6-tetramethylpiperidin-4-one;hydrate

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.89

H-bond acceptors

H-bond donors

Molar refractivity

49.15

TPSA

60.6

LogP / Solubility

WLOGP

0.67

MLOGP

0.59

XLogP3

0.67

Consensus LogP

0.64

Log S (ESOL)

-1.34

Class (ESOL)

Soluble

Log S (Ali)

-1.47

Class (Ali)

Soluble

Log S (SILICOS-IT)

-1.34

Class (SILICOS-IT)

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)

-3.3

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

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