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CAS 93071-75-1 3-(TRIFLUOROMETHOXY)BENZYLAMINE molecular structure lightbox
CAS RN: 93071-75-1

3-(TRIFLUOROMETHOXY)BENZYLAMINE

  • Product code: SSC-207075
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥96%
  • 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 93071-75-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥96% 0 Out of Stock Shanghai Inquiry
0.25g ≥96% 0 Out of Stock Shanghai Inquiry
1g ≥96% 0 Out of Stock Shenzhen Inquiry
5g ≥96% 0 Out of Stock Hong Kong Inquiry

93071-75-1 / [3-(trifluoromethoxy)phenyl]methanamine

Standard CAS: 93071-75-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
93071-75-1
Multi CAS
Yes
Molecular Formula
C8F3H8NO
Molecular Weight
191.150000
Exact Mass
191.055798
InChI
InChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
InChIKey
TUPUHSXMDIWJQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.02
TPSA
35.25

LogP / Solubility

WLOGP
2.04
MLOGP
1.8
XLogP3
2.1
Consensus LogP
1.98
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-2.43

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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