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CAS 1094559-47-3 (1-(m-tolyl)cyclobutyl)methanamine hydrochloride molecular structure lightbox
CAS RN: 1094559-47-3

(1-(m-tolyl)cyclobutyl)methanamine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260215 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1094559-47-3
  • Purity/Analytical Methods: >99.0%
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1094559-47-3 / [1-(3-methylphenyl)cyclobutyl]methanamine

(1-(m-Tolyl)cyclobutyl)methanamine | [1-(3-methylphenyl)cyclobutyl]methanamine | starbld0008371

Standard CAS: 1094559-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1094559-47-3
Multi CAS
No
Molecular Formula
C12H17N
Molecular Weight
175.270000
Exact Mass
175.136100
SMILES
CC1=CC(=CC=C1)C2(CCC2)CN
InChI
InChI=1S/C12H17N/c1-10-4-2-5-11(8-10)12(9-13)6-3-7-12/h2,4-5,8H,3,6-7,9,13H2,1H3
InChIKey
QFUZADVRDVKIIX-UHFFFAOYSA-N
Synonyms
(1-(m-Tolyl)cyclobutyl)methanamine [1-(3-methylphenyl)cyclobutyl]methanamine starbld0008371 (1-M-tolylcyclobutyl)methanamine DB-210696

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.76
TPSA
26.02

LogP / Solubility

WLOGP
2.38
MLOGP
2.09
XLogP3
2.4
Consensus LogP
2.29
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-2.1

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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