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CAS 107326-29-4 Methylamine Trifluoroacetate molecular structure lightbox
CAS RN: 107326-29-4

Methylamine Trifluoroacetate

  • Product code: SSC-008868
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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 107326-29-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shanghai Inquiry

107326-29-4 / methylamino 2,2,2-trifluoroacetate

MFCD32068075 | Methanamine Trifluoroacetate | C3H6F3NO2

Standard CAS: 107326-29-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
107326-29-4
Multi CAS
Yes
Molecular Formula
C3H4F3NO2
Molecular Weight
143.060000
Exact Mass
143.019413
SMILES
CNOC(=O)C(F)(F)F
InChI
InChI=1S/C3H4F3NO2/c1-7-9-2(8)3(4,5)6/h7H,1H3
InChIKey
CCXHPPYZHXPNNG-UHFFFAOYSA-N
Synonyms
MFCD32068075 Methanamine Trifluoroacetate C3H6F3NO2 SCHEMBL1731636 XYVVNIPEOCIYJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
21.21
TPSA
38.33

LogP / Solubility

WLOGP
0.23
MLOGP
0.19
XLogP3
1
Consensus LogP
0.47
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-3.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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