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CAS 39557-45-4 tert-Butylamine Hydroiodide molecular structure lightbox
CAS RN: 39557-45-4

tert-Butylamine Hydroiodide

  • Product code: SSC-147231
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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 39557-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

39557-45-4 / 2-methylpropan-2-amine;hydroiodide

Standard CAS: 39557-45-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39557-45-4
Multi CAS
Yes
Molecular Formula
C4H12In
Molecular Weight
201.050000
Exact Mass
201.001450
InChI
InChI=1S/C4H11N.HI/c1-4(2,3)5;/h5H2,1-3H3;1H
InChIKey
NLJDBTZLVTWXRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.36
TPSA
26.02

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
1.36
Consensus LogP
1.31
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately 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)
-2.98

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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