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CAS 54285-91-5 C6H16NI(HAI) molecular structure lightbox
CAS RN: 54285-91-5

C6H16NI(HAI)

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260403 100g Out of stock Inquiry
Batchno.20250404 10g In stock Inquiry
Batchno.20251217 50g Out of stock Inquiry
Batchno.20260517 5g In stock Inquiry
  • Product code: SSC-161915
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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: 5g
  • 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 54285-91-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

54285-91-5 / hexan-1-amine;hydroiodide

Standard CAS: 54285-91-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54285-91-5
Multi CAS
Yes
Molecular Formula
C6H16In
Molecular Weight
229.100000
Exact Mass
229.032750
InChI
InChI=1S/C6H15N.HI/c1-2-3-4-5-6-7;/h2-7H2,1H3;1H
InChIKey
VNAAUNTYIONOHR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.61
TPSA
26.02

LogP / Solubility

WLOGP
2.14
MLOGP
1.89
XLogP3
2.14
Consensus LogP
2.06
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly 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)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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