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CAS 41100-52-1 3,5-Dimethyl-1-adamantanamine Hydrochloride molecular structure lightbox
CAS RN: 41100-52-1

3,5-Dimethyl-1-adamantanamine Hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260519 1ml In stock Inquiry
  • Product code: SSC-149509
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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: 100g
  • 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 41100-52-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

41100-52-1 / 3,5-dimethyladamantan-1-amine;hydrochloride

Standard CAS: 41100-52-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
41100-52-1
Multi CAS
Yes
Molecular Formula
C12H22CLN
Molecular Weight
215.760000
Exact Mass
215.144077
InChI
InChI=1S/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H
InChIKey
LDDHMLJTFXJGPI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.57
TPSA
26.02

LogP / Solubility

WLOGP
3.12
MLOGP
2.74
XLogP3
3.12
Consensus LogP
2.99
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-1.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

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