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CAS 58271-62-8 cyclohexyl(phenyl)methanamine hydrochloride molecular structure lightbox
CAS RN: 58271-62-8

cyclohexyl(phenyl)methanamine hydrochloride

  • Product code: SSC-166510
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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 58271-62-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

58271-62-8 / cyclohexyl(phenyl)methanamine;hydrochloride

Standard CAS: 58271-62-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58271-62-8
Multi CAS
No
Molecular Formula
C13H20CLN
Molecular Weight
225.760000
Exact Mass
225.128427
InChI
InChI=1S/C13H19N.ClH/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1,3-4,7-8,12-13H,2,5-6,9-10,14H2;1H
InChIKey
INIQGHHKHOQSIT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
67.19
TPSA
26.02

LogP / Solubility

WLOGP
3.69
MLOGP
3.25
XLogP3
3.69
Consensus LogP
3.54
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly 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)
-1.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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