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CAS 1956318-97-0 2-fluoro-N,2-dimethylpropan-1-amine HCl molecular structure lightbox
CAS RN: 1956318-97-0

2-fluoro-N,2-dimethylpropan-1-amine HCl

  • Product code: SSC-092373
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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: 0.25g
  • Available purity: ＞97%
  • 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 1956318-97-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

1956318-97-0 / 2-fluoro-N,2-dimethylpropan-1-amine;hydrochloride

Standard CAS: 1956318-97-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956318-97-0
Multi CAS
No
Molecular Formula
C5H13ClFN
Molecular Weight
141.610000
Exact Mass
141.072055
SMILES
CC(C)(CNC)F.Cl
InChI
InChI=1S/C5H12FN.ClH/c1-5(2,6)4-7-3;/h7H,4H2,1-3H3;1H
InChIKey
RMMHWDXUZFAMMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.36
TPSA
12.03

LogP / Solubility

WLOGP
1.38
MLOGP
1.2
XLogP3
1.38
Consensus LogP
1.32
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
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)
-2.61

Drug-likeness / Medicinal Chemistry

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

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