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CAS 2605-78-9 N,N-DIMETHYLOCTYLAMINE-N-OXIDE molecular structure lightbox
CAS RN: 2605-78-9

N,N-DIMETHYLOCTYLAMINE-N-OXIDE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260624 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2605-78-9
  • Purity/Analytical Methods: >99.0%
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2605-78-9 / N,N-dimethyloctan-1-amine oxide

Standard CAS: 2605-78-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2605-78-9
Multi CAS
No
Molecular Formula
C10H23NO
Molecular Weight
173.300000
Exact Mass
173.177964
SMILES
CCCCCCCC[N+](C)(C)[O-]
InChI
InChI=1S/C10H23NO/c1-4-5-6-7-8-9-10-11(2,3)12/h4-10H2,1-3H3
InChIKey
RSVIRMFSJVHWJV-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid White hygroscopic powder
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
53.72
TPSA
23.06

LogP / Solubility

WLOGP
2.92
MLOGP
2.57
XLogP3
3.1
Consensus LogP
2.86
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly 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)
-1.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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