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CAS 58618-91-0 2,4,4-Trimethylpentan-2-amine Hydrochloride molecular structure lightbox
CAS RN: 58618-91-0

2,4,4-Trimethylpentan-2-amine Hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250330 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-166909
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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: ≥97%
  • 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 58618-91-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

58618-91-0 / 2,4,4-trimethylpentan-2-amine;hydrochloride

Standard CAS: 58618-91-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58618-91-0
Multi CAS
No
Molecular Formula
C8H20CLN
Molecular Weight
165.700000
Exact Mass
165.128427
InChI
InChI=1S/C8H19N.ClH/c1-7(2,3)6-8(4,5)9;/h6,9H2,1-5H3;1H
InChIKey
KKGHCTJMWJATGK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.59
TPSA
26.02

LogP / Solubility

WLOGP
2.58
MLOGP
2.27
XLogP3
2.58
Consensus LogP
2.48
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-1.9

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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