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CAS 1384429-67-7 2-fluorobutan-1-amine hydrochloride molecular structure lightbox
CAS RN: 1384429-67-7

2-fluorobutan-1-amine hydrochloride

  • Product code: SSC-048439
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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 1384429-67-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1384429-67-7 / 2-fluorobutan-1-amine;hydrochloride

Standard CAS: 1384429-67-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1384429-67-7
Multi CAS
No
Molecular Formula
C4H11ClFN
Molecular Weight
127.590000
Exact Mass
127.056405
SMILES
CCC(CN)F.Cl
InChI
InChI=1S/C4H10FN.ClH/c1-2-4(5)3-6;/h4H,2-3,6H2,1H3;1H
InChIKey
GCFJSNTVZBKQCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.49
TPSA
26.02

LogP / Solubility

WLOGP
1.11
MLOGP
0.97
XLogP3
1.11
Consensus LogP
1.07
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-2.71

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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