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CAS 143651-07-4 1-Propanamine, N-propyl-, 2,2,2-trifluoroacetate (1:1) molecular structure lightbox
CAS RN: 143651-07-4

1-Propanamine, N-propyl-, 2,2,2-trifluoroacetate (1:1)

  • Product code: SSC-055026
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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 143651-07-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

143651-07-4 / N-propylpropan-1-amine;2,2,2-trifluoroacetic acid

Standard CAS: 143651-07-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
143651-07-4
Multi CAS
No
Molecular Formula
C8H16F3NO2
Molecular Weight
215.210000
Exact Mass
215.113313
SMILES
CCCNCCC.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C6H15N.C2HF3O2/c1-3-5-7-6-4-2;3-2(4,5)1(6)7/h7H,3-6H2,1-2H3;(H,6,7)
InChIKey
VFAIRCAZEYFUCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.14
TPSA
49.33

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
2.03
Consensus LogP
1.95
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly 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)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
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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