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CAS 261951-67-1 3-FLUORO-4-METHYLBENZYLAMINE molecular structure lightbox
CAS RN: 261951-67-1

3-FLUORO-4-METHYLBENZYLAMINE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260224 1g In stock Inquiry
Batchno.20250724 250mg In stock Inquiry
Batchno.20260101 5g In stock Inquiry
  • Product code: SSC-123306
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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: 5g
  • 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 261951-67-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

261951-67-1 / (3-fluoro-4-methylphenyl)methanamine

Standard CAS: 261951-67-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
261951-67-1
Multi CAS
No
Molecular Formula
C8H10FN
Molecular Weight
139.170000
Exact Mass
139.079727
SMILES
CC1=C(C=C(C=C1)CN)F
InChI
InChI=1S/C8H10FN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,5,10H2,1H3
InChIKey
XCAJNBJDLZPHNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.03
TPSA
26.02

LogP / Solubility

WLOGP
1.59
MLOGP
1.39
XLogP3
1.2
Consensus LogP
1.39
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-2.44

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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