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CAS 1280293-22-2 2-(1-AMINOCYCLOBUTYL)ACETONITRILE molecular structure lightbox
CAS RN: 1280293-22-2

2-(1-AMINOCYCLOBUTYL)ACETONITRILE

  • Product code: SSC-035404
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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: ≥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 1280293-22-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1280293-22-2 / 2-(1-aminocyclobutyl)acetonitrile

Standard CAS: 1280293-22-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1280293-22-2
Multi CAS
No
Molecular Formula
C6H10N2
Molecular Weight
110.160000
Exact Mass
110.084398
SMILES
C1CC(C1)(CC#N)N
InChI
InChI=1S/C6H10N2/c7-5-4-6(8)2-1-3-6/h1-4,8H2
InChIKey
ZFPWGDIWXVKAIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
31
TPSA
49.81

LogP / Solubility

WLOGP
0.78
MLOGP
0.68
XLogP3
0.3
Consensus LogP
0.59
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
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)
-2.84

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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