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CAS 1017024-34-8 N-(2,2,2-trifluoroethyl)cyclopentanamine molecular structure lightbox
CAS RN: 1017024-34-8

N-(2,2,2-trifluoroethyl)cyclopentanamine

  • Product code: SSC-002628
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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: ≥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 1017024-34-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1017024-34-8 / N-(2,2,2-trifluoroethyl)cyclopentanamine

N-(2,2,2-trifluoroethyl)cyclopentanamine | RefChem:823742 | 835-871-3

Standard CAS: 1017024-34-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1017024-34-8
Multi CAS
No
Molecular Formula
C7H12F3N
Molecular Weight
167.170000
Exact Mass
167.092184
SMILES
C1CCC(C1)NCC(F)(F)F
InChI
InChI=1S/C7H12F3N/c8-7(9,10)5-11-6-3-1-2-4-6/h6,11H,1-5H2
InChIKey
YDZJAXDALRSDQG-UHFFFAOYSA-N
Synonyms
N-(2,2,2-trifluoroethyl)cyclopentanamine RefChem:823742 835-871-3 MFCD09936569 SCHEMBL19020836

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.31
TPSA
12.03

LogP / Solubility

WLOGP
2.08
MLOGP
1.83
XLogP3
2.2
Consensus LogP
2.04
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.26

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501

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