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CAS 2098116-13-1 2-fluoropropan-1-amine hydrochloride molecular structure lightbox
CAS RN: 2098116-13-1

2-fluoropropan-1-amine hydrochloride

  • Product code: SSC-099705
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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 2098116-13-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2098116-13-1 / 2-fluoropropan-1-amine;hydrochloride

Standard CAS: 2098116-13-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2098116-13-1
Multi CAS
No
Molecular Formula
C3H9ClFN
Molecular Weight
113.560000
Exact Mass
113.040755
SMILES
CC(CN)F.Cl
InChI
InChI=1S/C3H8FN.ClH/c1-3(4)2-5;/h3H,2,5H2,1H3;1H
InChIKey
PWMCOIMMDLINMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.87
TPSA
26.02

LogP / Solubility

WLOGP
0.72
MLOGP
0.63
XLogP3
0.72
Consensus LogP
0.69
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
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)
-2.9

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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