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CAS 2107-43-9 N,N-DIMETHYL-3-FLUOROANILINE molecular structure lightbox
CAS RN: 2107-43-9

N,N-DIMETHYL-3-FLUOROANILINE

  • Product code: SSC-100413
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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 2107-43-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

2107-43-9 / 3-fluoro-N,N-dimethylaniline

Standard CAS: 2107-43-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2107-43-9
Multi CAS
No
Molecular Formula
C8H10FN
Molecular Weight
139.170000
Exact Mass
139.079727
SMILES
CN(C)C1=CC(=CC=C1)F
InChI
InChI=1S/C8H10FN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKey
SDDGNMXIOGQCCH-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
Molar refractivity
40.73
TPSA
3.24

LogP / Solubility

WLOGP
1.89
MLOGP
1.66
XLogP3
2
Consensus LogP
1.85
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-2.23

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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