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CAS 91324-39-9 4-Ethynyl-1-methylpiperidine molecular structure lightbox
CAS RN: 91324-39-9

4-Ethynyl-1-methylpiperidine

  • Product code: SSC-204270
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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: 1g
  • Available purity: ≥95%
  • 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 91324-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

91324-39-9 / 4-ethynyl-1-methylpiperidine

Standard CAS: 91324-39-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91324-39-9
Multi CAS
No
Molecular Formula
C8H13N
Molecular Weight
123.200000
Exact Mass
123.104799
InChI
InChI=1S/C8H13N/c1-3-8-4-6-9(2)7-5-8/h1,8H,4-7H2,2H3
InChIKey
GKSZTGKBJYXEET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.75
H-bond acceptors
1
Molar refractivity
39.05
TPSA
3.24

LogP / Solubility

WLOGP
0.96
MLOGP
0.84
XLogP3
1.1
Consensus LogP
0.97
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-2.79

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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