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CAS 20826-77-1 Trans-3-Methylcyclobutanamine molecular structure lightbox
CAS RN: 20826-77-1

Trans-3-Methylcyclobutanamine

  • Product code: SSC-097946
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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 20826-77-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

20826-77-1 / 3-methylcyclobutan-1-amine

Standard CAS: 20826-77-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20826-77-1
Multi CAS
No
Molecular Formula
C5H11N
Molecular Weight
85.150000
Exact Mass
85.089149
SMILES
CC1CC(C1)N
InChI
InChI=1S/C5H11N/c1-4-2-5(6)3-4/h4-5H,2-3,6H2,1H3
InChIKey
GNHDRVDLNQEOPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.37
TPSA
26.02

LogP / Solubility

WLOGP
0.74
MLOGP
0.64
XLogP3
0.6
Consensus LogP
0.66
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
Class (SILICOS-IT)
Very 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)
-2.71

Drug-likeness / Medicinal Chemistry

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

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