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CAS 58271-61-7 alpha-cyclobutylbenzylamine Hydrochloride molecular structure lightbox
CAS RN: 58271-61-7

alpha-cyclobutylbenzylamine Hydrochloride

  • Product code: SSC-166509
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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: 0.25g, 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 58271-61-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry

58271-61-7 / cyclobutyl(phenyl)methanamine;hydrochloride

Standard CAS: 58271-61-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58271-61-7
Multi CAS
Yes
Molecular Formula
C11H16CLN
Molecular Weight
197.700000
Exact Mass
197.097127
InChI
InChI=1S/C11H15N.ClH/c12-11(10-7-4-8-10)9-5-2-1-3-6-9;/h1-3,5-6,10-11H,4,7-8,12H2;1H
InChIKey
AAOLJOPKUMMRSZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.96
TPSA
26.02

LogP / Solubility

WLOGP
2.91
MLOGP
2.56
XLogP3
2.91
Consensus LogP
2.79
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-1.86

Drug-likeness / Medicinal Chemistry

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

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