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CAS 845821-84-3 1-aminocyclobutanecarbonitrile hydrochloride molecular structure lightbox
CAS RN: 845821-84-3

1-aminocyclobutanecarbonitrile hydrochloride

  • Product code: SSC-192125
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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 845821-84-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

845821-84-3 / 1-aminocyclobutane-1-carbonitrile;hydrochloride

Standard CAS: 845821-84-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
845821-84-3
Multi CAS
No
Molecular Formula
C5H9CLN2
Molecular Weight
132.590000
Exact Mass
132.045426
InChI
InChI=1S/C5H8N2.ClH/c6-4-5(7)2-1-3-5;/h1-3,7H2;1H
InChIKey
YMJJHWPAULQWGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.63
TPSA
49.81

LogP / Solubility

WLOGP
0.81
MLOGP
0.71
XLogP3
0.81
Consensus LogP
0.78
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-2.95

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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