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CAS 75702-99-7 1-cyclopropyl-2,2,2-trifluoroethan-1-amine hydrochloride molecular structure lightbox
CAS RN: 75702-99-7

1-cyclopropyl-2,2,2-trifluoroethan-1-amine hydrochloride

  • Product code: SSC-185151
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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: ≥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 75702-99-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

75702-99-7 / (1S)-1-cyclopropyl-2,2,2-trifluoroethanamine;hydrochloride

Standard CAS: 75702-99-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75702-99-7
Multi CAS
Yes
Molecular Formula
C5H9CLF3N
Molecular Weight
175.580000
Exact Mass
175.037562
InChI
InChI=1S/C5H8F3N.ClH/c6-5(7,8)4(9)3-1-2-3;/h3-4H,1-2,9H2;1H
InChIKey
SYGCZMSQFRLXRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34
TPSA
26.02

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.71
Consensus LogP
1.64
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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