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CAS 20431-81-6 2-METHYLAMINO-CYCLOHEXANOL molecular structure lightbox
CAS RN: 20431-81-6

2-METHYLAMINO-CYCLOHEXANOL

  • Product code: SSC-096106
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 20431-81-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

20431-81-6 / 2-(methylamino)cyclohexan-1-ol

Standard CAS: 20431-81-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20431-81-6
Multi CAS
No
Molecular Formula
C7H15NO
Molecular Weight
129.200000
Exact Mass
129.115364
SMILES
CNC1CCCCC1O
InChI
InChI=1S/C7H15NO/c1-8-6-4-2-3-5-7(6)9/h6-9H,2-5H2,1H3
InChIKey
HILGAVODIXBHHR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.32
TPSA
32.26

LogP / Solubility

WLOGP
0.51
MLOGP
0.44
XLogP3
0.4
Consensus LogP
0.45
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.04
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)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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