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CAS 1094559-48-4 1-(4-Methylphenyl)cyclobutan-1-aMine hcl molecular structure lightbox
CAS RN: 1094559-48-4

1-(4-Methylphenyl)cyclobutan-1-aMine hcl

  • Product code: SSC-010829
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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: ≥95%
  • 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 1094559-48-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1094559-48-4 / 1-(4-methylphenyl)cyclobutan-1-amine

1-(4-Methylphenyl)cyclobutanamine | 1-(p-tolyl)Cyclobutanamine | 1-(4-methylphenyl)cyclobutan-1-amine

Standard CAS: 1094559-48-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1094559-48-4
Multi CAS
Yes
Molecular Formula
C11H15N
Molecular Weight
161.240000
Exact Mass
161.120449
SMILES
CC1=CC=C(C=C1)C2(CCC2)N
InChI
InChI=1S/C11H15N/c1-9-3-5-10(6-4-9)11(12)7-2-8-11/h3-6H,2,7-8,12H2,1H3
InChIKey
YUTFZXDXBJCMGY-UHFFFAOYSA-N
Synonyms
1-(4-Methylphenyl)cyclobutanamine 1-(p-tolyl)Cyclobutanamine 1-(4-methylphenyl)cyclobutan-1-amine MFCD11642703 1-(P-tolyl)cyclobutan-1-amine

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.9
TPSA
26.02

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
1.8
Consensus LogP
2.06
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.05

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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